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

C12H12N2O3S2 — CID 3163449

IUPAC3-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nccs1
InChIInChI=1S/C12H12N2O3S2/c15-11(14-12-13-7-8-18-12)6-9-19(16,17)10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,13,14,15)
InChIKeyQQRMMXXCQWHJEQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.95
Rot. Bonds5

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

3-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 3163449) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID3163449
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name3-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nccs1
InChIInChI=1S/C12H12N2O3S2/c15-11(14-12-13-7-8-18-12)6-9-19(16,17)10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,13,14,15)
InChIKeyQQRMMXXCQWHJEQ-UHFFFAOYSA-N
XLogP1.95
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)propanamide (CID 3163449) is 3-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1nccs1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is QQRMMXXCQWHJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c15-11(14-12-13-7-8-18-12)6-9-19(16,17)10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,13,14,15).
What are the key properties of 3-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)propanamide?
3-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 296.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3163449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).