azocan-1-yl-[6-[(2-chloro-3-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;N-[2-(2-chloro-6-methylphenyl)ethyl]-6-[(2,6-dimethylphenyl)sulfonylmethyl]pyridine-2-carboxamide;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone

C137H162Cl2N12O18S6 — CID 158422090

IUPACazocan-1-yl-[6-[(2-chloro-3-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;N-[2-(2-chloro-6-methylphenyl)ethyl]-6-[(2,6-dimethylphenyl)sulfonylmethyl]pyridine-2-carboxamide;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone
SMILESCCC1CCC(C)N(C(=O)c2cccc(CS(=O)(=O)c3c(C)cccc3C)n2)C1.CCCC1CCN(C(=O)c2cccc(CS(=O)(=O)c3c(C)cccc3C)n2)CC1.Cc1ccc2c(c1)CCCN2C(=O)c1cccc(CS(=O)(=O)c2c(C)cccc2C)n1.Cc1cccc(C)c1S(=O)(=O)Cc1cccc(C(=O)N2C(C)CCC2C)n1.Cc1cccc(Cl)c1CCNC(=O)c1cccc(CS(=O)(=O)c2c(C)cccc2C)n1.Cc1cccc(S(=O)(=O)Cc2cccc(C(=O)N3CCCCCCC3)n2)c1Cl
InChIInChI=1S/C25H26N2O3S.C24H25ClN2O3S.2C23H30N2O3S.C21H25ClN2O3S.C21H26N2O3S/c1-17-12-13-23-20(15-17)9-6-14-27(23)25(28)22-11-5-10-21(26-22)16-31(29,30)24-18(2)7-4-8-19(24)3;1-16-7-5-11-21(25)20(16)13-14-26-24(28)22-12-6-10-19(27-22)15-31(29,30)23-17(2)8-4-9-18(23)3;1-5-19-13-12-18(4)25(14-19)23(26)21-11-7-10-20(24-21)15-29(27,28)22-16(2)8-6-9-17(22)3;1-4-7-19-12-14-25(15-13-19)23(26)21-11-6-10-20(24-21)16-29(27,28)22-17(2)8-5-9-18(22)3;1-16-9-7-12-19(20(16)22)28(26,27)15-17-10-8-11-18(23-17)21(25)24-13-5-3-2-4-6-14-24;1-14-7-5-8-15(2)20(14)27(25,26)13-18-9-6-10-19(22-18)21(24)23-16(3)11-12-17(23)4/h4-5,7-8,10-13,15H,6,9,14,16H2,1-3H3;4-12H,13-15H2,1-3H3,(H,26,28);6-11,18-19H,5,12-15H2,1-4H3;5-6,8-11,19H,4,7,12-16H2,1-3H3;7-12H,2-6,13-15H2,1H3;5-10,16-17H,11-13H2,1-4H3
InChIKeyHAPKPCMEPIBWBS-UHFFFAOYSA-N
MW2528.18 g/mol
LogP25.94
Rot. Bonds30

About azocan-1-yl-[6-[(2-chloro-3-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;N-[2-(2-chloro-6-methylphenyl)ethyl]-6-[(2,6-dimethylphenyl)sulfonylmethyl]pyridine-2-carboxamide;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone

azocan-1-yl-[6-[(2-chloro-3-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;N-[2-(2-chloro-6-methylphenyl)ethyl]-6-[(2,6-dimethylphenyl)sulfonylmethyl]pyridine-2-carboxamide;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone (PubChem CID 158422090) has the molecular formula C137H162Cl2N12O18S6 and a molecular weight of 2528.18 g/mol. Its IUPAC name is azocan-1-yl-[6-[(2-chloro-3-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;N-[2-(2-chloro-6-methylphenyl)ethyl]-6-[(2,6-dimethylphenyl)sulfonylmethyl]pyridine-2-carboxamide;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-[6-[(2-chloro-3-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;N-[2-(2-chloro-6-methylphenyl)ethyl]-6-[(2,6-dimethylphenyl)sulfonylmethyl]pyridine-2-carboxamide;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone
PubChem CID158422090
Molecular FormulaC137H162Cl2N12O18S6
Molecular Weight2528.18 g/mol
Exact Mass2524.98
IUPAC Nameazocan-1-yl-[6-[(2-chloro-3-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;N-[2-(2-chloro-6-methylphenyl)ethyl]-6-[(2,6-dimethylphenyl)sulfonylmethyl]pyridine-2-carboxamide;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone
SMILESCCC1CCC(C)N(C(=O)c2cccc(CS(=O)(=O)c3c(C)cccc3C)n2)C1.CCCC1CCN(C(=O)c2cccc(CS(=O)(=O)c3c(C)cccc3C)n2)CC1.Cc1ccc2c(c1)CCCN2C(=O)c1cccc(CS(=O)(=O)c2c(C)cccc2C)n1.Cc1cccc(C)c1S(=O)(=O)Cc1cccc(C(=O)N2C(C)CCC2C)n1.Cc1cccc(Cl)c1CCNC(=O)c1cccc(CS(=O)(=O)c2c(C)cccc2C)n1.Cc1cccc(S(=O)(=O)Cc2cccc(C(=O)N3CCCCCCC3)n2)c1Cl
InChIInChI=1S/C25H26N2O3S.C24H25ClN2O3S.2C23H30N2O3S.C21H25ClN2O3S.C21H26N2O3S/c1-17-12-13-23-20(15-17)9-6-14-27(23)25(28)22-11-5-10-21(26-22)16-31(29,30)24-18(2)7-4-8-19(24)3;1-16-7-5-11-21(25)20(16)13-14-26-24(28)22-12-6-10-19(27-22)15-31(29,30)23-17(2)8-4-9-18(23)3;1-5-19-13-12-18(4)25(14-19)23(26)21-11-7-10-20(24-21)15-29(27,28)22-16(2)8-6-9-17(22)3;1-4-7-19-12-14-25(15-13-19)23(26)21-11-6-10-20(24-21)16-29(27,28)22-17(2)8-5-9-18(22)3;1-16-9-7-12-19(20(16)22)28(26,27)15-17-10-8-11-18(23-17)21(25)24-13-5-3-2-4-6-14-24;1-14-7-5-8-15(2)20(14)27(25,26)13-18-9-6-10-19(22-18)21(24)23-16(3)11-12-17(23)4/h4-5,7-8,10-13,15H,6,9,14,16H2,1-3H3;4-12H,13-15H2,1-3H3,(H,26,28);6-11,18-19H,5,12-15H2,1-4H3;5-6,8-11,19H,4,7,12-16H2,1-3H3;7-12H,2-6,13-15H2,1H3;5-10,16-17H,11-13H2,1-4H3
InChIKeyHAPKPCMEPIBWBS-UHFFFAOYSA-N
XLogP25.94
TPSA412.83 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002528.18
LogP ≤ 525.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze azocan-1-yl-[6-[(2-chloro-3-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;N-[2-(2-chloro-6-methylphenyl)ethyl]-6-[(2,6-dimethylphenyl)sulfonylmethyl]pyridine-2-carboxamide;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[6-[(2-chloro-3-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;N-[2-(2-chloro-6-methylphenyl)ethyl]-6-[(2,6-dimethylphenyl)sulfonylmethyl]pyridine-2-carboxamide;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone?
The IUPAC name of azocan-1-yl-[6-[(2-chloro-3-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;N-[2-(2-chloro-6-methylphenyl)ethyl]-6-[(2,6-dimethylphenyl)sulfonylmethyl]pyridine-2-carboxamide;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone (CID 158422090) is azocan-1-yl-[6-[(2-chloro-3-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;N-[2-(2-chloro-6-methylphenyl)ethyl]-6-[(2,6-dimethylphenyl)sulfonylmethyl]pyridine-2-carboxamide;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone.
What is the SMILES notation for azocan-1-yl-[6-[(2-chloro-3-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;N-[2-(2-chloro-6-methylphenyl)ethyl]-6-[(2,6-dimethylphenyl)sulfonylmethyl]pyridine-2-carboxamide;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone?
The canonical SMILES for azocan-1-yl-[6-[(2-chloro-3-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;N-[2-(2-chloro-6-methylphenyl)ethyl]-6-[(2,6-dimethylphenyl)sulfonylmethyl]pyridine-2-carboxamide;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone is CCC1CCC(C)N(C(=O)c2cccc(CS(=O)(=O)c3c(C)cccc3C)n2)C1.CCCC1CCN(C(=O)c2cccc(CS(=O)(=O)c3c(C)cccc3C)n2)CC1.Cc1ccc2c(c1)CCCN2C(=O)c1cccc(CS(=O)(=O)c2c(C)cccc2C)n1.Cc1cccc(C)c1S(=O)(=O)Cc1cccc(C(=O)N2C(C)CCC2C)n1.Cc1cccc(Cl)c1CCNC(=O)c1cccc(CS(=O)(=O)c2c(C)cccc2C)n1.Cc1cccc(S(=O)(=O)Cc2cccc(C(=O)N3CCCCCCC3)n2)c1Cl.
What is the InChIKey of azocan-1-yl-[6-[(2-chloro-3-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;N-[2-(2-chloro-6-methylphenyl)ethyl]-6-[(2,6-dimethylphenyl)sulfonylmethyl]pyridine-2-carboxamide;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone?
The InChIKey is HAPKPCMEPIBWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S.C24H25ClN2O3S.2C23H30N2O3S.C21H25ClN2O3S.C21H26N2O3S/c1-17-12-13-23-20(15-17)9-6-14-27(23)25(28)22-11-5-10-21(26-22)16-31(29,30)24-18(2)7-4-8-19(24)3;1-16-7-5-11-21(25)20(16)13-14-26-24(28)22-12-6-10-19(27-22)15-31(29,30)23-17(2)8-4-9-18(23)3;1-5-19-13-12-18(4)25(14-19)23(26)21-11-7-10-20(24-21)15-29(27,28)22-16(2)8-6-9-17(22)3;1-4-7-19-12-14-25(15-13-19)23(26)21-11-6-10-20(24-21)16-29(27,28)22-17(2)8-5-9-18(22)3;1-16-9-7-12-19(20(16)22)28(26,27)15-17-10-8-11-18(23-17)21(25)24-13-5-3-2-4-6-14-24;1-14-7-5-8-15(2)20(14)27(25,26)13-18-9-6-10-19(22-18)21(24)23-16(3)11-12-17(23)4/h4-5,7-8,10-13,15H,6,9,14,16H2,1-3H3;4-12H,13-15H2,1-3H3,(H,26,28);6-11,18-19H,5,12-15H2,1-4H3;5-6,8-11,19H,4,7,12-16H2,1-3H3;7-12H,2-6,13-15H2,1H3;5-10,16-17H,11-13H2,1-4H3.
What are the key properties of azocan-1-yl-[6-[(2-chloro-3-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;N-[2-(2-chloro-6-methylphenyl)ethyl]-6-[(2,6-dimethylphenyl)sulfonylmethyl]pyridine-2-carboxamide;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone?
azocan-1-yl-[6-[(2-chloro-3-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;N-[2-(2-chloro-6-methylphenyl)ethyl]-6-[(2,6-dimethylphenyl)sulfonylmethyl]pyridine-2-carboxamide;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone has a molecular weight of 2528.18 g/mol, XLogP of 25.94, 30 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[6-[(2-chloro-3-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;N-[2-(2-chloro-6-methylphenyl)ethyl]-6-[(2,6-dimethylphenyl)sulfonylmethyl]pyridine-2-carboxamide;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 158422090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).