N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C16H14N4O4S3 — CID 41229370

IUPACN-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1
InChIInChI=1S/C16H14N4O4S3/c17-27(23,24)12-5-3-10(4-6-12)18-14(21)8-11-9-26-16(19-11)20-15(22)13-2-1-7-25-13/h1-7,9H,8H2,(H,18,21)(H2,17,23,24)(H,19,20,22)
InChIKeyGDSBKZOHYJYJKG-UHFFFAOYSA-N
MW422.51 g/mol
LogP2.29
Rot. Bonds6

About N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 41229370) has the molecular formula C16H14N4O4S3 and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID41229370
Molecular FormulaC16H14N4O4S3
Molecular Weight422.51 g/mol
Exact Mass422.02
IUPAC NameN-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1
InChIInChI=1S/C16H14N4O4S3/c17-27(23,24)12-5-3-10(4-6-12)18-14(21)8-11-9-26-16(19-11)20-15(22)13-2-1-7-25-13/h1-7,9H,8H2,(H,18,21)(H2,17,23,24)(H,19,20,22)
InChIKeyGDSBKZOHYJYJKG-UHFFFAOYSA-N
XLogP2.29
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17414617
N-[4-[2-oxo-2-(pyridin-4-ylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 51275054
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide
CID 41211564
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 29369939
N-[4-[2-(9H-fluoren-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55363923
N-[4-[2-(2-anilinoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 112771279
N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 16820241
N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229313
N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229017
N-[4-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
CID 120507248
N-[4-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 119478812
N-(4-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940888

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 41229370) is N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is NS(=O)(=O)c1ccc(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1.
What is the InChIKey of N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is GDSBKZOHYJYJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S3/c17-27(23,24)12-5-3-10(4-6-12)18-14(21)8-11-9-26-16(19-11)20-15(22)13-2-1-7-25-13/h1-7,9H,8H2,(H,18,21)(H2,17,23,24)(H,19,20,22).
What are the key properties of N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 41229370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).