3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide

C16H14N2O3S3 — CID 7189641

IUPAC3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C16H14N2O3S3/c19-15(8-10-24(20,21)12-5-2-1-3-6-12)18-16-17-13(11-23-16)14-7-4-9-22-14/h1-7,9,11H,8,10H2,(H,17,18,19)
InChIKeyFKZOOMUTXUNZGA-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.67
Rot. Bonds6

About 3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide

3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 7189641) has the molecular formula C16H14N2O3S3 and a molecular weight of 378.50 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID7189641
Molecular FormulaC16H14N2O3S3
Molecular Weight378.50 g/mol
Exact Mass378.02
IUPAC Name3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C16H14N2O3S3/c19-15(8-10-24(20,21)12-5-2-1-3-6-12)18-16-17-13(11-23-16)14-7-4-9-22-14/h1-7,9,11H,8,10H2,(H,17,18,19)
InChIKeyFKZOOMUTXUNZGA-UHFFFAOYSA-N
XLogP3.67
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(benzenesulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7202561
3-(benzenesulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 41235089
3,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 4171293
4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
CID 120558829
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CID 43947236
3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide
CID 112830370
N-[6-oxo-6-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]hexyl]benzamide
CID 108742103
2-(2-fluorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide (CID 7189641) is 3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is FKZOOMUTXUNZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S3/c19-15(8-10-24(20,21)12-5-2-1-3-6-12)18-16-17-13(11-23-16)14-7-4-9-22-14/h1-7,9,11H,8,10H2,(H,17,18,19).
What are the key properties of 3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 378.50 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 7189641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).