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

C13H15N3O3S2 — CID 6493261

IUPAC3-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C13H15N3O3S2/c1-2-12-15-16-13(20-12)14-11(17)8-9-21(18,19)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,16,17)
InChIKeyQBEAZGKMDNEXBY-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.90
Rot. Bonds6

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

3-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 6493261) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID6493261
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Name3-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C13H15N3O3S2/c1-2-12-15-16-13(20-12)14-11(17)8-9-21(18,19)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,16,17)
InChIKeyQBEAZGKMDNEXBY-UHFFFAOYSA-N
XLogP1.90
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
3-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 3163459
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
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-(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
2-(benzylsulfonyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2227985

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (CID 6493261) is 3-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is CCc1nnc(NC(=O)CCS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is QBEAZGKMDNEXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-2-12-15-16-13(20-12)14-11(17)8-9-21(18,19)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,16,17).
What are the key properties of 3-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 325.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 6493261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).