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

C12H13N3O3S2 — CID 2990341

IUPAC2-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C12H13N3O3S2/c1-2-11-14-15-12(19-11)13-10(16)8-20(17,18)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,15,16)
InChIKeyHMTAEQGYWWDHEZ-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.51
Rot. Bonds5

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

2-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2990341) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2990341
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC Name2-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C12H13N3O3S2/c1-2-11-14-15-12(19-11)13-10(16)8-20(17,18)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,15,16)
InChIKeyHMTAEQGYWWDHEZ-UHFFFAOYSA-N
XLogP1.51
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.51
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
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
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-Cyclohexyl-[1,3,4]thiadiazol-2-yl)-2-phenylmethanesulfonyl-acetamide
CID 647806
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

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2990341) is 2-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)CS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is HMTAEQGYWWDHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c1-2-11-14-15-12(19-11)13-10(16)8-20(17,18)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,15,16).
What are the key properties of 2-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 311.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2990341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).