4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide

C36H32N6O6S4 — CID 4644127

IUPAC4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3csc(NC(=O)c4ccc(S(=O)(=O)N(C)Cc5ccccc5)cc4)n3)cs2)cc1
InChIInChI=1S/C36H32N6O6S4/c1-41(21-25-9-5-3-6-10-25)51(45,46)29-17-13-27(14-18-29)33(43)39-35-37-31(23-49-35)32-24-50-36(38-32)40-34(44)28-15-19-30(20-16-28)52(47,48)42(2)22-26-11-7-4-8-12-26/h3-20,23-24H,21-22H2,1-2H3,(H,37,39,43)(H,38,40,44)
InChIKeyPQJSXAYJDOUVNM-UHFFFAOYSA-N
MW772.96 g/mol
LogP6.41
Rot. Bonds13

About 4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide

4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 4644127) has the molecular formula C36H32N6O6S4 and a molecular weight of 772.96 g/mol. Its IUPAC name is 4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
PubChem CID4644127
Molecular FormulaC36H32N6O6S4
Molecular Weight772.96 g/mol
Exact Mass772.13
IUPAC Name4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3csc(NC(=O)c4ccc(S(=O)(=O)N(C)Cc5ccccc5)cc4)n3)cs2)cc1
InChIInChI=1S/C36H32N6O6S4/c1-41(21-25-9-5-3-6-10-25)51(45,46)29-17-13-27(14-18-29)33(43)39-35-37-31(23-49-35)32-24-50-36(38-32)40-34(44)28-15-19-30(20-16-28)52(47,48)42(2)22-26-11-7-4-8-12-26/h3-20,23-24H,21-22H2,1-2H3,(H,37,39,43)(H,38,40,44)
InChIKeyPQJSXAYJDOUVNM-UHFFFAOYSA-N
XLogP6.41
TPSA158.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.96
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[benzyl(methyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 5056068
4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
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4-[benzyl(ethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4155724
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43947050
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16833562
4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 43947043
4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 41235454
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CID 41235456
4-[benzyl(tert-butyl)sulfamoyl]-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4560514
4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4177546
4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
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4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide (CID 4644127) is 4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3csc(NC(=O)c4ccc(S(=O)(=O)N(C)Cc5ccccc5)cc4)n3)cs2)cc1.
What is the InChIKey of 4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is PQJSXAYJDOUVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N6O6S4/c1-41(21-25-9-5-3-6-10-25)51(45,46)29-17-13-27(14-18-29)33(43)39-35-37-31(23-49-35)32-24-50-36(38-32)40-34(44)28-15-19-30(20-16-28)52(47,48)42(2)22-26-11-7-4-8-12-26/h3-20,23-24H,21-22H2,1-2H3,(H,37,39,43)(H,38,40,44).
What are the key properties of 4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide?
4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 772.96 g/mol, XLogP of 6.41, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4644127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).