4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide

C12H13N3O3S3 — CID 6503287

IUPAC4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCCC2)cs1
InChIInChI=1S/C12H13N3O3S3/c16-11(14-12-13-3-6-19-12)10-7-9(8-20-10)21(17,18)15-4-1-2-5-15/h3,6-8H,1-2,4-5H2,(H,13,14,16)
InChIKeyCLGFDVRLJRWQRL-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.24
Rot. Bonds4

About 4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide

4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 6503287) has the molecular formula C12H13N3O3S3 and a molecular weight of 343.46 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID6503287
Molecular FormulaC12H13N3O3S3
Molecular Weight343.46 g/mol
Exact Mass343.01
IUPAC Name4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCCC2)cs1
InChIInChI=1S/C12H13N3O3S3/c16-11(14-12-13-3-6-19-12)10-7-9(8-20-10)21(17,18)15-4-1-2-5-15/h3,6-8H,1-2,4-5H2,(H,13,14,16)
InChIKeyCLGFDVRLJRWQRL-UHFFFAOYSA-N
XLogP2.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 6503814
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503288
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 8762849
N-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503342
4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide
CID 6503439
N-(4-chlorophenyl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503298
N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503247
4-piperidin-1-ylsulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503269
N-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503315
2-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid
CID 6503300
4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 6503193
4-fluoro-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 2994136

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 6503287) is 4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCCC2)cs1.
What is the InChIKey of 4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is CLGFDVRLJRWQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S3/c16-11(14-12-13-3-6-19-12)10-7-9(8-20-10)21(17,18)15-4-1-2-5-15/h3,6-8H,1-2,4-5H2,(H,13,14,16).
What are the key properties of 4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 343.46 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 6503287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).