N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide

C16H14ClN3O3S3 — CID 42109082

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1csc(NS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C16H14ClN3O3S3/c17-12-5-3-11(4-6-12)7-8-18-15(21)13-10-25-16(19-13)20-26(22,23)14-2-1-9-24-14/h1-6,9-10H,7-8H2,(H,18,21)(H,19,20)
InChIKeyXEORGFMPISCQIZ-UHFFFAOYSA-N
MW427.96 g/mol
LogP3.63
Rot. Bonds7

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

N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide (PubChem CID 42109082) has the molecular formula C16H14ClN3O3S3 and a molecular weight of 427.96 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
PubChem CID42109082
Molecular FormulaC16H14ClN3O3S3
Molecular Weight427.96 g/mol
Exact Mass426.99
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1csc(NS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C16H14ClN3O3S3/c17-12-5-3-11(4-6-12)7-8-18-15(21)13-10-25-16(19-13)20-26(22,23)14-2-1-9-24-14/h1-6,9-10H,7-8H2,(H,18,21)(H,19,20)
InChIKeyXEORGFMPISCQIZ-UHFFFAOYSA-N
XLogP3.63
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.96
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
CID 25405282
N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 22422194
N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
CID 25405255
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769
4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655544
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55569595
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide
CID 15997579
N-butyl-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazole-4-carboxamide
CID 46113972
2-[2-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 80568324
N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 25405161
N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2078307
methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624509

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide (CID 42109082) is N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1csc(NS(=O)(=O)c2cccs2)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is XEORGFMPISCQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S3/c17-12-5-3-11(4-6-12)7-8-18-15(21)13-10-25-16(19-13)20-26(22,23)14-2-1-9-24-14/h1-6,9-10H,7-8H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 427.96 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42109082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).