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

C13H15N3O3S2 — CID 1091332

IUPAC2-benzylsulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1
InChIInChI=1S/C13H15N3O3S2/c1-2-12-15-16-13(20-12)14-11(17)9-21(18,19)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,16,17)
InChIKeyHGWDPGLUIUEKIB-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.65
Rot. Bonds6

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

2-benzylsulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 1091332) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID1091332
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Name2-benzylsulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1
InChIInChI=1S/C13H15N3O3S2/c1-2-12-15-16-13(20-12)14-11(17)9-21(18,19)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,16,17)
InChIKeyHGWDPGLUIUEKIB-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Acetamide, N-(5-((phenylmethyl)thio)-1,3,4-thiadiazol-2-yl)-
CID 101472
2,2-Dimethyl-N-(5-phenethyl-[1,3,4]thiadiazol-2-yl)-propionamide
CID 821488
N-[5-(4-Fluoro-benzylsulfanylmethyl)-[1,3,4]thiadiazol-2-yl]-3-methyl-butyramide
CID 921781
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
2-methyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3254349
N-{5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}butanamide
CID 6290772
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-phenylmethanesulfonyl-propionamide
CID 6488988
3-Benzenesulfonyl-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-propionamide
CID 6493261
N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride
CID 23724219

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-benzylsulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 1091332) is 2-benzylsulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-benzylsulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-benzylsulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1.
What is the InChIKey of 2-benzylsulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is HGWDPGLUIUEKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-2-12-15-16-13(20-12)14-11(17)9-21(18,19)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,16,17).
What are the key properties of 2-benzylsulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-benzylsulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 325.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 1091332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).