3-[(4-acetylphenyl)sulfonylamino]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide

C17H16N4O4S3 — CID 56503578

IUPAC3-[(4-acetylphenyl)sulfonylamino]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(-c3ccsc3)s2)cc1
InChIInChI=1S/C17H16N4O4S3/c1-11(22)12-2-4-14(5-3-12)28(24,25)18-8-6-15(23)19-17-21-20-16(27-17)13-7-9-26-10-13/h2-5,7,9-10,18H,6,8H2,1H3,(H,19,21,23)
InChIKeyGKRJAUICPLZTFM-UHFFFAOYSA-N
MW436.54 g/mol
LogP2.78
Rot. Bonds8

About 3-[(4-acetylphenyl)sulfonylamino]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide

3-[(4-acetylphenyl)sulfonylamino]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 56503578) has the molecular formula C17H16N4O4S3 and a molecular weight of 436.54 g/mol. Its IUPAC name is 3-[(4-acetylphenyl)sulfonylamino]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(4-acetylphenyl)sulfonylamino]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID56503578
Molecular FormulaC17H16N4O4S3
Molecular Weight436.54 g/mol
Exact Mass436.03
IUPAC Name3-[(4-acetylphenyl)sulfonylamino]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(-c3ccsc3)s2)cc1
InChIInChI=1S/C17H16N4O4S3/c1-11(22)12-2-4-14(5-3-12)28(24,25)18-8-6-15(23)19-17-21-20-16(27-17)13-7-9-26-10-13/h2-5,7,9-10,18H,6,8H2,1H3,(H,19,21,23)
InChIKeyGKRJAUICPLZTFM-UHFFFAOYSA-N
XLogP2.78
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[(4-acetylphenyl)sulfonylamino]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-ethylphenyl)-4-oxo-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 56503193
3-(benzenesulfonamido)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 4250604
3-[4-(diethylsulfamoyl)phenyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 55922761
4-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597091
3-[(4-acetylphenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide
CID 42369414
2-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 120602769
3-[(4-fluorophenyl)sulfonylamino]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 17192257
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 55436363
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
CID 24647555
3-[(4-acetylphenyl)sulfonylamino]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 55342756
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24647554
3-[(4-chlorophenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
CID 24647552

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 56503578) is 3-[(4-acetylphenyl)sulfonylamino]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(4-acetylphenyl)sulfonylamino]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-[(4-acetylphenyl)sulfonylamino]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide is CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(-c3ccsc3)s2)cc1.
What is the InChIKey of 3-[(4-acetylphenyl)sulfonylamino]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is GKRJAUICPLZTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S3/c1-11(22)12-2-4-14(5-3-12)28(24,25)18-8-6-15(23)19-17-21-20-16(27-17)13-7-9-26-10-13/h2-5,7,9-10,18H,6,8H2,1H3,(H,19,21,23).
What are the key properties of 3-[(4-acetylphenyl)sulfonylamino]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
3-[(4-acetylphenyl)sulfonylamino]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 436.54 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylphenyl)sulfonylamino]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 56503578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).