N-[(4-sulfamoylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide

C15H14N4O5S4 — CID 25405282

IUPACN-[(4-sulfamoylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2csc(NS(=O)(=O)c3cccs3)n2)cc1
InChIInChI=1S/C15H14N4O5S4/c16-27(21,22)11-5-3-10(4-6-11)8-17-14(20)12-9-26-15(18-12)19-28(23,24)13-2-1-7-25-13/h1-7,9H,8H2,(H,17,20)(H,18,19)(H2,16,21,22)
InChIKeyCTHDBIFTZYNIIW-UHFFFAOYSA-N
MW458.57 g/mol
LogP1.58
Rot. Bonds7

About N-[(4-sulfamoylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide

N-[(4-sulfamoylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide (PubChem CID 25405282) has the molecular formula C15H14N4O5S4 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
PubChem CID25405282
Molecular FormulaC15H14N4O5S4
Molecular Weight458.57 g/mol
Exact Mass457.98
IUPAC NameN-[(4-sulfamoylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2csc(NS(=O)(=O)c3cccs3)n2)cc1
InChIInChI=1S/C15H14N4O5S4/c16-27(21,22)11-5-3-10(4-6-11)8-17-14(20)12-9-26-15(18-12)19-28(23,24)13-2-1-7-25-13/h1-7,9H,8H2,(H,17,20)(H,18,19)(H2,16,21,22)
InChIKeyCTHDBIFTZYNIIW-UHFFFAOYSA-N
XLogP1.58
TPSA148.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109088
N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
CID 42109082
2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 90509881
2-(1-amino-3-methylsulfanylpropyl)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 4597088
2-pyrrolidin-2-yl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 4254038
ethyl 4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 25405160
N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide
CID 4785409
4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655544
N-[[4-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37316745
N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
CID 25405255
methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624509
5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide
CID 112521897

Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide (CID 25405282) is N-[(4-sulfamoylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2csc(NS(=O)(=O)c3cccs3)n2)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is CTHDBIFTZYNIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O5S4/c16-27(21,22)11-5-3-10(4-6-11)8-17-14(20)12-9-26-15(18-12)19-28(23,24)13-2-1-7-25-13/h1-7,9H,8H2,(H,17,20)(H,18,19)(H2,16,21,22).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide?
N-[(4-sulfamoylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25405282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).