2-(benzenesulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

C14H17N3O3S2 — CID 17257226

IUPAC2-(benzenesulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)CS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C14H17N3O3S2/c1-10(2)8-13-16-17-14(21-13)15-12(18)9-22(19,20)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,17,18)
InChIKeyFYWJTNYRNJMION-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.15
Rot. Bonds6

About 2-(benzenesulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(benzenesulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 17257226) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID17257226
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name2-(benzenesulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)CS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C14H17N3O3S2/c1-10(2)8-13-16-17-14(21-13)15-12(18)9-22(19,20)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,17,18)
InChIKeyFYWJTNYRNJMION-UHFFFAOYSA-N
XLogP2.15
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide
CID 110024955
2-(benzenesulfonyl)-N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 3605298
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
2-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 8750095
2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 119264571
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 29456239
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide
CID 6493240
2-(4-acetamidophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 18195919
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide
CID 30732694
N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-naphthalen-1-ylbutanediamide
CID 1399795
2-(2-methoxyphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3388491
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 17321419

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 17257226) is 2-(benzenesulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(C)Cc1nnc(NC(=O)CS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is FYWJTNYRNJMION-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-10(2)8-13-16-17-14(21-13)15-12(18)9-22(19,20)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,17,18).
What are the key properties of 2-(benzenesulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(benzenesulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 17257226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).