N-(benzenesulfonyl)-2-(2,5-dimethylpyrrol-1-yl)benzamide;4-[3-(3-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;N-cyclopropylsulfonyl-2-(2,5-dimethylpyrrol-1-yl)benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(3-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(4-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonyl-4-[3-[4-(methylsulfonylcarbamoyl)phenyl]piperidine-1-carbonyl]benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-(3-phenylpiperidine-1-carbonyl)benzoic acid;1-[2-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-methylsulfonylethanone

C180H192N18O32S5 — CID 158733504

IUPACN-(benzenesulfonyl)-2-(2,5-dimethylpyrrol-1-yl)benzamide;4-[3-(3-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;N-cyclopropylsulfonyl-2-(2,5-dimethylpyrrol-1-yl)benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(3-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(4-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonyl-4-[3-[4-(methylsulfonylcarbamoyl)phenyl]piperidine-1-carbonyl]benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-(3-phenylpiperidine-1-carbonyl)benzoic acid;1-[2-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-methylsulfonylethanone
SMILESCOc1ccc(C2CCCN(C(=O)c3ccc(C(=O)O)c(-n4c(C)ccc4C)c3)C2)cc1.COc1cccc(C2CCCN(C(=O)c3ccc(C(=O)O)c(-n4c(C)ccc4C)c3)C2)c1.Cc1ccc(C)n1-c1cc(C(=O)N2CCCC(c3ccc(C(=O)NS(C)(=O)=O)cc3)C2)ccc1C(=O)NS(C)(=O)=O.Cc1ccc(C)n1-c1cc(C(=O)N2CCCC(c3cccc(C(=O)O)c3)C2)ccc1C(=O)O.Cc1ccc(C)n1-c1cc(C(=O)N2CCCC(c3ccccc3)C2)ccc1C(=O)O.Cc1ccc(C)n1-c1ccccc1C(=O)NS(=O)(=O)C1CC1.Cc1ccc(C)n1-c1ccccc1C(=O)NS(=O)(=O)c1ccccc1.Cc1ccc(C)n1-c1ncccc1C(=O)CS(C)(=O)=O
InChIInChI=1S/C28H32N4O7S2.C26H26N2O5.2C26H28N2O4.C25H26N2O3.C19H18N2O3S.C16H18N2O3S.C14H16N2O3S/c1-18-7-8-19(2)32(18)25-16-22(13-14-24(25)27(34)30-41(4,38)39)28(35)31-15-5-6-23(17-31)20-9-11-21(12-10-20)26(33)29-40(3,36)37;1-16-8-9-17(2)28(16)23-14-19(10-11-22(23)26(32)33)24(29)27-12-4-7-21(15-27)18-5-3-6-20(13-18)25(30)31;1-17-9-10-18(2)28(17)24-15-20(11-12-23(24)26(30)31)25(29)27-13-5-7-21(16-27)19-6-4-8-22(14-19)32-3;1-17-6-7-18(2)28(17)24-15-20(10-13-23(24)26(30)31)25(29)27-14-4-5-21(16-27)19-8-11-22(32-3)12-9-19;1-17-10-11-18(2)27(17)23-15-20(12-13-22(23)25(29)30)24(28)26-14-6-9-21(16-26)19-7-4-3-5-8-19;1-14-12-13-15(2)21(14)18-11-7-6-10-17(18)19(22)20-25(23,24)16-8-4-3-5-9-16;1-11-7-8-12(2)18(11)15-6-4-3-5-14(15)16(19)17-22(20,21)13-9-10-13;1-10-6-7-11(2)16(10)14-12(5-4-8-15-14)13(17)9-20(3,18)19/h7-14,16,23H,5-6,15,17H2,1-4H3,(H,29,33)(H,30,34);3,5-6,8-11,13-14,21H,4,7,12,15H2,1-2H3,(H,30,31)(H,32,33);4,6,8-12,14-15,21H,5,7,13,16H2,1-3H3,(H,30,31);6-13,15,21H,4-5,14,16H2,1-3H3,(H,30,31);3-5,7-8,10-13,15,21H,6,9,14,16H2,1-2H3,(H,29,30);3-13H,1-2H3,(H,20,22);3-8,13H,9-10H2,1-2H3,(H,17,19);4-8H,9H2,1-3H3
InChIKeyILJRRWCDXQTCRE-UHFFFAOYSA-N
MW3279.94 g/mol
LogP28.70
Rot. Bonds38

About N-(benzenesulfonyl)-2-(2,5-dimethylpyrrol-1-yl)benzamide;4-[3-(3-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;N-cyclopropylsulfonyl-2-(2,5-dimethylpyrrol-1-yl)benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(3-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(4-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonyl-4-[3-[4-(methylsulfonylcarbamoyl)phenyl]piperidine-1-carbonyl]benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-(3-phenylpiperidine-1-carbonyl)benzoic acid;1-[2-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-methylsulfonylethanone

N-(benzenesulfonyl)-2-(2,5-dimethylpyrrol-1-yl)benzamide;4-[3-(3-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;N-cyclopropylsulfonyl-2-(2,5-dimethylpyrrol-1-yl)benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(3-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(4-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonyl-4-[3-[4-(methylsulfonylcarbamoyl)phenyl]piperidine-1-carbonyl]benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-(3-phenylpiperidine-1-carbonyl)benzoic acid;1-[2-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-methylsulfonylethanone (PubChem CID 158733504) has the molecular formula C180H192N18O32S5 and a molecular weight of 3279.94 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(2,5-dimethylpyrrol-1-yl)benzamide;4-[3-(3-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;N-cyclopropylsulfonyl-2-(2,5-dimethylpyrrol-1-yl)benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(3-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(4-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonyl-4-[3-[4-(methylsulfonylcarbamoyl)phenyl]piperidine-1-carbonyl]benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-(3-phenylpiperidine-1-carbonyl)benzoic acid;1-[2-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-methylsulfonylethanone.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(2,5-dimethylpyrrol-1-yl)benzamide;4-[3-(3-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;N-cyclopropylsulfonyl-2-(2,5-dimethylpyrrol-1-yl)benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(3-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(4-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonyl-4-[3-[4-(methylsulfonylcarbamoyl)phenyl]piperidine-1-carbonyl]benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-(3-phenylpiperidine-1-carbonyl)benzoic acid;1-[2-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-methylsulfonylethanone
PubChem CID158733504
Molecular FormulaC180H192N18O32S5
Molecular Weight3279.94 g/mol
Exact Mass3277.26
IUPAC NameN-(benzenesulfonyl)-2-(2,5-dimethylpyrrol-1-yl)benzamide;4-[3-(3-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;N-cyclopropylsulfonyl-2-(2,5-dimethylpyrrol-1-yl)benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(3-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(4-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonyl-4-[3-[4-(methylsulfonylcarbamoyl)phenyl]piperidine-1-carbonyl]benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-(3-phenylpiperidine-1-carbonyl)benzoic acid;1-[2-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-methylsulfonylethanone
SMILESCOc1ccc(C2CCCN(C(=O)c3ccc(C(=O)O)c(-n4c(C)ccc4C)c3)C2)cc1.COc1cccc(C2CCCN(C(=O)c3ccc(C(=O)O)c(-n4c(C)ccc4C)c3)C2)c1.Cc1ccc(C)n1-c1cc(C(=O)N2CCCC(c3ccc(C(=O)NS(C)(=O)=O)cc3)C2)ccc1C(=O)NS(C)(=O)=O.Cc1ccc(C)n1-c1cc(C(=O)N2CCCC(c3cccc(C(=O)O)c3)C2)ccc1C(=O)O.Cc1ccc(C)n1-c1cc(C(=O)N2CCCC(c3ccccc3)C2)ccc1C(=O)O.Cc1ccc(C)n1-c1ccccc1C(=O)NS(=O)(=O)C1CC1.Cc1ccc(C)n1-c1ccccc1C(=O)NS(=O)(=O)c1ccccc1.Cc1ccc(C)n1-c1ncccc1C(=O)CS(C)(=O)=O
InChIInChI=1S/C28H32N4O7S2.C26H26N2O5.2C26H28N2O4.C25H26N2O3.C19H18N2O3S.C16H18N2O3S.C14H16N2O3S/c1-18-7-8-19(2)32(18)25-16-22(13-14-24(25)27(34)30-41(4,38)39)28(35)31-15-5-6-23(17-31)20-9-11-21(12-10-20)26(33)29-40(3,36)37;1-16-8-9-17(2)28(16)23-14-19(10-11-22(23)26(32)33)24(29)27-12-4-7-21(15-27)18-5-3-6-20(13-18)25(30)31;1-17-9-10-18(2)28(17)24-15-20(11-12-23(24)26(30)31)25(29)27-13-5-7-21(16-27)19-6-4-8-22(14-19)32-3;1-17-6-7-18(2)28(17)24-15-20(10-13-23(24)26(30)31)25(29)27-14-4-5-21(16-27)19-8-11-22(32-3)12-9-19;1-17-10-11-18(2)27(17)23-15-20(12-13-22(23)25(29)30)24(28)26-14-6-9-21(16-26)19-7-4-3-5-8-19;1-14-12-13-15(2)21(14)18-11-7-6-10-17(18)19(22)20-25(23,24)16-8-4-3-5-9-16;1-11-7-8-12(2)18(11)15-6-4-3-5-14(15)16(19)17-22(20,21)13-9-10-13;1-10-6-7-11(2)16(10)14-12(5-4-8-15-14)13(17)9-20(3,18)19/h7-14,16,23H,5-6,15,17H2,1-4H3,(H,29,33)(H,30,34);3,5-6,8-11,13-14,21H,4,7,12,15H2,1-2H3,(H,30,31)(H,32,33);4,6,8-12,14-15,21H,5,7,13,16H2,1-3H3,(H,30,31);6-13,15,21H,4-5,14,16H2,1-3H3,(H,30,31);3-5,7-8,10-13,15,21H,6,9,14,16H2,1-2H3,(H,29,30);3-13H,1-2H3,(H,20,22);3-8,13H,9-10H2,1-2H3,(H,17,19);4-8H,9H2,1-3H3
InChIKeyILJRRWCDXQTCRE-UHFFFAOYSA-N
XLogP28.70
TPSA663.01 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds38
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003279.94
LogP ≤ 528.70
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze N-(benzenesulfonyl)-2-(2,5-dimethylpyrrol-1-yl)benzamide;4-[3-(3-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;N-cyclopropylsulfonyl-2-(2,5-dimethylpyrrol-1-yl)benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(3-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(4-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonyl-4-[3-[4-(methylsulfonylcarbamoyl)phenyl]piperidine-1-carbonyl]benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-(3-phenylpiperidine-1-carbonyl)benzoic acid;1-[2-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-methylsulfonylethanone with MolForge

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Related Compounds

2-(2,5-dimethylpyrrol-1-yl)-4-[3-(3-methoxyphenyl)piperidine-1-carbonyl]benzoic acid
CID 90154939
2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonyl-4-(3-phenylpiperidine-1-carbonyl)benzamide
CID 118443974
2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonyl-4-[3-[4-(methylsulfonylcarbamoyl)phenyl]piperidine-1-carbonyl]benzamide
CID 90154644
4-[3-(3-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid
CID 90154739
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
butyl 4-[3-(3-butoxycarbonylphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoate;2-[4-carboxy-3-(2,5-dimethylpyrrol-1-yl)benzoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;4-[3-(3-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[4-(3-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[4-(4-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid
CID 157075609
N-cyclopentyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 46333939
3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 92872341
N-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 46333958
N-[(3-chlorophenyl)methyl]-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 46333937
N-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 92872314
[3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone
CID 126826318

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(2,5-dimethylpyrrol-1-yl)benzamide;4-[3-(3-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;N-cyclopropylsulfonyl-2-(2,5-dimethylpyrrol-1-yl)benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(3-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(4-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonyl-4-[3-[4-(methylsulfonylcarbamoyl)phenyl]piperidine-1-carbonyl]benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-(3-phenylpiperidine-1-carbonyl)benzoic acid;1-[2-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-methylsulfonylethanone?
The IUPAC name of N-(benzenesulfonyl)-2-(2,5-dimethylpyrrol-1-yl)benzamide;4-[3-(3-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;N-cyclopropylsulfonyl-2-(2,5-dimethylpyrrol-1-yl)benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(3-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(4-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonyl-4-[3-[4-(methylsulfonylcarbamoyl)phenyl]piperidine-1-carbonyl]benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-(3-phenylpiperidine-1-carbonyl)benzoic acid;1-[2-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-methylsulfonylethanone (CID 158733504) is N-(benzenesulfonyl)-2-(2,5-dimethylpyrrol-1-yl)benzamide;4-[3-(3-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;N-cyclopropylsulfonyl-2-(2,5-dimethylpyrrol-1-yl)benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(3-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(4-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonyl-4-[3-[4-(methylsulfonylcarbamoyl)phenyl]piperidine-1-carbonyl]benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-(3-phenylpiperidine-1-carbonyl)benzoic acid;1-[2-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-methylsulfonylethanone.
What is the SMILES notation for N-(benzenesulfonyl)-2-(2,5-dimethylpyrrol-1-yl)benzamide;4-[3-(3-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;N-cyclopropylsulfonyl-2-(2,5-dimethylpyrrol-1-yl)benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(3-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(4-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonyl-4-[3-[4-(methylsulfonylcarbamoyl)phenyl]piperidine-1-carbonyl]benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-(3-phenylpiperidine-1-carbonyl)benzoic acid;1-[2-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-methylsulfonylethanone?
The canonical SMILES for N-(benzenesulfonyl)-2-(2,5-dimethylpyrrol-1-yl)benzamide;4-[3-(3-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;N-cyclopropylsulfonyl-2-(2,5-dimethylpyrrol-1-yl)benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(3-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(4-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonyl-4-[3-[4-(methylsulfonylcarbamoyl)phenyl]piperidine-1-carbonyl]benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-(3-phenylpiperidine-1-carbonyl)benzoic acid;1-[2-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-methylsulfonylethanone is COc1ccc(C2CCCN(C(=O)c3ccc(C(=O)O)c(-n4c(C)ccc4C)c3)C2)cc1.COc1cccc(C2CCCN(C(=O)c3ccc(C(=O)O)c(-n4c(C)ccc4C)c3)C2)c1.Cc1ccc(C)n1-c1cc(C(=O)N2CCCC(c3ccc(C(=O)NS(C)(=O)=O)cc3)C2)ccc1C(=O)NS(C)(=O)=O.Cc1ccc(C)n1-c1cc(C(=O)N2CCCC(c3cccc(C(=O)O)c3)C2)ccc1C(=O)O.Cc1ccc(C)n1-c1cc(C(=O)N2CCCC(c3ccccc3)C2)ccc1C(=O)O.Cc1ccc(C)n1-c1ccccc1C(=O)NS(=O)(=O)C1CC1.Cc1ccc(C)n1-c1ccccc1C(=O)NS(=O)(=O)c1ccccc1.Cc1ccc(C)n1-c1ncccc1C(=O)CS(C)(=O)=O.
What is the InChIKey of N-(benzenesulfonyl)-2-(2,5-dimethylpyrrol-1-yl)benzamide;4-[3-(3-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;N-cyclopropylsulfonyl-2-(2,5-dimethylpyrrol-1-yl)benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(3-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(4-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonyl-4-[3-[4-(methylsulfonylcarbamoyl)phenyl]piperidine-1-carbonyl]benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-(3-phenylpiperidine-1-carbonyl)benzoic acid;1-[2-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-methylsulfonylethanone?
The InChIKey is ILJRRWCDXQTCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O7S2.C26H26N2O5.2C26H28N2O4.C25H26N2O3.C19H18N2O3S.C16H18N2O3S.C14H16N2O3S/c1-18-7-8-19(2)32(18)25-16-22(13-14-24(25)27(34)30-41(4,38)39)28(35)31-15-5-6-23(17-31)20-9-11-21(12-10-20)26(33)29-40(3,36)37;1-16-8-9-17(2)28(16)23-14-19(10-11-22(23)26(32)33)24(29)27-12-4-7-21(15-27)18-5-3-6-20(13-18)25(30)31;1-17-9-10-18(2)28(17)24-15-20(11-12-23(24)26(30)31)25(29)27-13-5-7-21(16-27)19-6-4-8-22(14-19)32-3;1-17-6-7-18(2)28(17)24-15-20(10-13-23(24)26(30)31)25(29)27-14-4-5-21(16-27)19-8-11-22(32-3)12-9-19;1-17-10-11-18(2)27(17)23-15-20(12-13-22(23)25(29)30)24(28)26-14-6-9-21(16-26)19-7-4-3-5-8-19;1-14-12-13-15(2)21(14)18-11-7-6-10-17(18)19(22)20-25(23,24)16-8-4-3-5-9-16;1-11-7-8-12(2)18(11)15-6-4-3-5-14(15)16(19)17-22(20,21)13-9-10-13;1-10-6-7-11(2)16(10)14-12(5-4-8-15-14)13(17)9-20(3,18)19/h7-14,16,23H,5-6,15,17H2,1-4H3,(H,29,33)(H,30,34);3,5-6,8-11,13-14,21H,4,7,12,15H2,1-2H3,(H,30,31)(H,32,33);4,6,8-12,14-15,21H,5,7,13,16H2,1-3H3,(H,30,31);6-13,15,21H,4-5,14,16H2,1-3H3,(H,30,31);3-5,7-8,10-13,15,21H,6,9,14,16H2,1-2H3,(H,29,30);3-13H,1-2H3,(H,20,22);3-8,13H,9-10H2,1-2H3,(H,17,19);4-8H,9H2,1-3H3.
What are the key properties of N-(benzenesulfonyl)-2-(2,5-dimethylpyrrol-1-yl)benzamide;4-[3-(3-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;N-cyclopropylsulfonyl-2-(2,5-dimethylpyrrol-1-yl)benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(3-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(4-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonyl-4-[3-[4-(methylsulfonylcarbamoyl)phenyl]piperidine-1-carbonyl]benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-(3-phenylpiperidine-1-carbonyl)benzoic acid;1-[2-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-methylsulfonylethanone?
N-(benzenesulfonyl)-2-(2,5-dimethylpyrrol-1-yl)benzamide;4-[3-(3-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;N-cyclopropylsulfonyl-2-(2,5-dimethylpyrrol-1-yl)benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(3-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(4-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonyl-4-[3-[4-(methylsulfonylcarbamoyl)phenyl]piperidine-1-carbonyl]benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-(3-phenylpiperidine-1-carbonyl)benzoic acid;1-[2-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-methylsulfonylethanone has a molecular weight of 3279.94 g/mol, XLogP of 28.70, 38 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-(2,5-dimethylpyrrol-1-yl)benzamide;4-[3-(3-carboxyphenyl)piperidine-1-carbonyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;N-cyclopropylsulfonyl-2-(2,5-dimethylpyrrol-1-yl)benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(3-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[3-(4-methoxyphenyl)piperidine-1-carbonyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonyl-4-[3-[4-(methylsulfonylcarbamoyl)phenyl]piperidine-1-carbonyl]benzamide;2-(2,5-dimethylpyrrol-1-yl)-4-(3-phenylpiperidine-1-carbonyl)benzoic acid;1-[2-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-methylsulfonylethanone is sourced from PubChem (CID 158733504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).