N-[benzyl(methyl)sulfamoyl]-2-phenyl-1,3-thiazole-4-carboxamide

C18H17N3O3S2 — CID 55823983

IUPACN-[benzyl(methyl)sulfamoyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccccc1)S(=O)(=O)NC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C18H17N3O3S2/c1-21(12-14-8-4-2-5-9-14)26(23,24)20-17(22)16-13-25-18(19-16)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,20,22)
InChIKeyALLSBOAJLWMIJW-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.92
Rot. Bonds6

About N-[benzyl(methyl)sulfamoyl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[benzyl(methyl)sulfamoyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 55823983) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[benzyl(methyl)sulfamoyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[benzyl(methyl)sulfamoyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID55823983
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC NameN-[benzyl(methyl)sulfamoyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccccc1)S(=O)(=O)NC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C18H17N3O3S2/c1-21(12-14-8-4-2-5-9-14)26(23,24)20-17(22)16-13-25-18(19-16)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,20,22)
InChIKeyALLSBOAJLWMIJW-UHFFFAOYSA-N
XLogP2.92
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 18105647
N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9488971
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 110902537
2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119249287
N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110648241
(2R)-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-3-sulfanylpropanoic acid
CID 71417855
N-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 11259615
2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9457088
(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 92928991
(Z)-2-(2-phenyl-1,3-thiazol-4-yl)but-2-enoic acid
CID 58657658

Frequently Asked Questions

What is the IUPAC name of N-[benzyl(methyl)sulfamoyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[benzyl(methyl)sulfamoyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 55823983) is N-[benzyl(methyl)sulfamoyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[benzyl(methyl)sulfamoyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[benzyl(methyl)sulfamoyl]-2-phenyl-1,3-thiazole-4-carboxamide is CN(Cc1ccccc1)S(=O)(=O)NC(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-[benzyl(methyl)sulfamoyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is ALLSBOAJLWMIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-21(12-14-8-4-2-5-9-14)26(23,24)20-17(22)16-13-25-18(19-16)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,20,22).
What are the key properties of N-[benzyl(methyl)sulfamoyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[benzyl(methyl)sulfamoyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(methyl)sulfamoyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55823983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).