3-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide

C15H19N3O3S2 — CID 3163459

IUPAC3-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(C)c1nnc(NC(=O)CCS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C15H19N3O3S2/c1-15(2,3)13-17-18-14(22-13)16-12(19)9-10-23(20,21)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,18,19)
InChIKeyRMMQDTPJLKPVGD-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.64
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide

3-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 3163459) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID3163459
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name3-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(C)c1nnc(NC(=O)CCS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C15H19N3O3S2/c1-15(2,3)13-17-18-14(22-13)16-12(19)9-10-23(20,21)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,18,19)
InChIKeyRMMQDTPJLKPVGD-UHFFFAOYSA-N
XLogP2.64
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(benzenesulfonyl)-N-(5-tert-butyl-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

N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-phenylmethanesulfonyl-acetamide
CID 1091332
2-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2990341
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-2-(toluene-4-sulfonyl)-acetamide
CID 3163429
3-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 3163457
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-phenylmethanesulfonyl-propionamide
CID 6488988
3-Benzenesulfonyl-N-[1,3,4]thiadiazol-2-yl-propionamide
CID 6493258
3-Benzenesulfonyl-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-propionamide
CID 6493261
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(phenylthio)acetamide
CID 700480
N-(5-{2-[(3,4-dimethylphenyl)sulfonyl]ethyl}-1,3,4-thiadiazol-2-yl)acetamide
CID 742486
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylphenyl)sulfanyl]acetamide
CID 1094109
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenylsulfanylpropanamide
CID 1251582
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(phenylsulfanyl)propanamide
CID 2227153

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide (CID 3163459) is 3-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide is CC(C)(C)c1nnc(NC(=O)CCS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is RMMQDTPJLKPVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-15(2,3)13-17-18-14(22-13)16-12(19)9-10-23(20,21)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,18,19).
What are the key properties of 3-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 353.47 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 3163459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).