4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,2-oxazol-2-ium-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide

C126H160N17O27S9+ — CID 161472314

IUPAC4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,2-oxazol-2-ium-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(OCC3CC3)c2)cc1.CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.CC(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c1.Cc1cc(-[n+]2ccco2)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)c(C)c1
InChIInChI=1S/C22H29N3O5S2.C22H25N3O4S.C21H25N3O4S.C21H26N2O4S.2C20H27N3O5S2/c1-22(2,3)32(29,30)24-19-9-7-17(8-10-19)21(26)23-18-11-13-20(14-12-18)31(27,28)25-15-5-4-6-16-25;1-15-13-17(7-9-20(15)24-30(27,28)22(3,4)5)21(26)23-19-10-8-18(14-16(19)2)25-11-6-12-29-25;1-21(2,3)29(27,28)23-17-8-6-15(7-9-17)20(26)22-16-10-12-18(13-11-16)24-14-4-5-19(24)25;1-21(2,3)28(25,26)23-17-11-9-16(10-12-17)20(24)22-18-5-4-6-19(13-18)27-14-15-7-8-15;1-14(2)22-29(25,26)18-12-10-16(11-13-18)21-19(24)15-6-8-17(9-7-15)23-30(27,28)20(3,4)5;1-14(2)22-29(25,26)18-8-6-7-17(13-18)21-19(24)15-9-11-16(12-10-15)23-30(27,28)20(3,4)5/h7-14,24H,4-6,15-16H2,1-3H3,(H,23,26);6-14H,1-5H3,(H-,23,24,26);6-13,23H,4-5,14H2,1-3H3,(H,22,26);4-6,9-13,15,23H,7-8,14H2,1-3H3,(H,22,24);2*6-14,22-23H,1-5H3,(H,21,24)/p+1
InChIKeyAFKGMDQNMMQDHN-UHFFFAOYSA-O
MW2633.36 g/mol
LogP21.82
Rot. Bonds37

About 4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,2-oxazol-2-ium-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide

4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,2-oxazol-2-ium-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 161472314) has the molecular formula C126H160N17O27S9+ and a molecular weight of 2633.36 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,2-oxazol-2-ium-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,2-oxazol-2-ium-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
PubChem CID161472314
Molecular FormulaC126H160N17O27S9+
Molecular Weight2633.36 g/mol
Exact Mass2630.92
IUPAC Name4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,2-oxazol-2-ium-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(OCC3CC3)c2)cc1.CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.CC(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c1.Cc1cc(-[n+]2ccco2)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)c(C)c1
InChIInChI=1S/C22H29N3O5S2.C22H25N3O4S.C21H25N3O4S.C21H26N2O4S.2C20H27N3O5S2/c1-22(2,3)32(29,30)24-19-9-7-17(8-10-19)21(26)23-18-11-13-20(14-12-18)31(27,28)25-15-5-4-6-16-25;1-15-13-17(7-9-20(15)24-30(27,28)22(3,4)5)21(26)23-19-10-8-18(14-16(19)2)25-11-6-12-29-25;1-21(2,3)29(27,28)23-17-8-6-15(7-9-17)20(26)22-16-10-12-18(13-11-16)24-14-4-5-19(24)25;1-21(2,3)28(25,26)23-17-11-9-16(10-12-17)20(24)22-18-5-4-6-19(13-18)27-14-15-7-8-15;1-14(2)22-29(25,26)18-12-10-16(11-13-18)21-19(24)15-6-8-17(9-7-15)23-30(27,28)20(3,4)5;1-14(2)22-29(25,26)18-8-6-7-17(13-18)21-19(24)15-9-11-16(12-10-15)23-30(27,28)20(3,4)5/h7-14,24H,4-6,15-16H2,1-3H3,(H,23,26);6-14H,1-5H3,(H-,23,24,26);6-13,23H,4-5,14H2,1-3H3,(H,22,26);4-6,9-13,15,23H,7-8,14H2,1-3H3,(H,22,24);2*6-14,22-23H,1-5H3,(H,21,24)/p+1
InChIKeyAFKGMDQNMMQDHN-UHFFFAOYSA-O
XLogP21.82
TPSA627.90 Ų
H-Bond Donors14
H-Bond Acceptors27
Rotatable Bonds37
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002633.36
LogP ≤ 521.82
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,2-oxazol-2-ium-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide with MolForge

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Related Compounds

4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,2-oxazol-2-ium-2-yl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 158361988
4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,2-oxazol-5-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide
CID 157215294
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3541229
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 4570058
N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55948695
3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 17140290
4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28578210
4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 20629618
3-(tert-butylsulfamoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8747935
4-[(4-methylphenyl)sulfamoyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3291501
4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4314126
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 92685963

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,2-oxazol-2-ium-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,2-oxazol-2-ium-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide (CID 161472314) is 4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,2-oxazol-2-ium-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,2-oxazol-2-ium-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,2-oxazol-2-ium-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide is CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(OCC3CC3)c2)cc1.CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.CC(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c1.Cc1cc(-[n+]2ccco2)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)c(C)c1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,2-oxazol-2-ium-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is AFKGMDQNMMQDHN-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H29N3O5S2.C22H25N3O4S.C21H25N3O4S.C21H26N2O4S.2C20H27N3O5S2/c1-22(2,3)32(29,30)24-19-9-7-17(8-10-19)21(26)23-18-11-13-20(14-12-18)31(27,28)25-15-5-4-6-16-25;1-15-13-17(7-9-20(15)24-30(27,28)22(3,4)5)21(26)23-19-10-8-18(14-16(19)2)25-11-6-12-29-25;1-21(2,3)29(27,28)23-17-8-6-15(7-9-17)20(26)22-16-10-12-18(13-11-16)24-14-4-5-19(24)25;1-21(2,3)28(25,26)23-17-11-9-16(10-12-17)20(24)22-18-5-4-6-19(13-18)27-14-15-7-8-15;1-14(2)22-29(25,26)18-12-10-16(11-13-18)21-19(24)15-6-8-17(9-7-15)23-30(27,28)20(3,4)5;1-14(2)22-29(25,26)18-8-6-7-17(13-18)21-19(24)15-9-11-16(12-10-15)23-30(27,28)20(3,4)5/h7-14,24H,4-6,15-16H2,1-3H3,(H,23,26);6-14H,1-5H3,(H-,23,24,26);6-13,23H,4-5,14H2,1-3H3,(H,22,26);4-6,9-13,15,23H,7-8,14H2,1-3H3,(H,22,24);2*6-14,22-23H,1-5H3,(H,21,24)/p+1.
What are the key properties of 4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,2-oxazol-2-ium-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide?
4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,2-oxazol-2-ium-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 2633.36 g/mol, XLogP of 21.82, 37 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,2-oxazol-2-ium-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 161472314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).