4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide

C17H17N3O4S2 — CID 53042733

IUPAC4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)c1
InChIInChI=1S/C17H17N3O4S2/c1-23-14-7-3-6-13(9-14)20-26(21,22)15-8-12(10-25-15)16-18-17(24-19-16)11-4-2-5-11/h3,6-11,20H,2,4-5H2,1H3
InChIKeyYEEHQIAFIMVLIV-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.88
Rot. Bonds6

About 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide

4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide (PubChem CID 53042733) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
PubChem CID53042733
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC Name4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)c1
InChIInChI=1S/C17H17N3O4S2/c1-23-14-7-3-6-13(9-14)20-26(21,22)15-8-12(10-25-15)16-18-17(24-19-16)11-4-2-5-11/h3,6-11,20H,2,4-5H2,1H3
InChIKeyYEEHQIAFIMVLIV-UHFFFAOYSA-N
XLogP3.88
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide 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-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 53104812
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 53042747
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 53042877
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 53104805
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(3,4-difluorophenyl)thiophene-2-sulfonamide
CID 53042866
N-(5-chloro-2,4-dimethoxyphenyl)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 53042739
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)thiophene-2-sulfonamide
CID 53042744
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 53042984
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-cyclopentylthiophene-2-sulfonamide
CID 53042743
N-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 53042813
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
CID 50839340
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
CID 53042777

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide (CID 53042733) is 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide is COc1cccc(NS(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)c1.
What is the InChIKey of 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is YEEHQIAFIMVLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-23-14-7-3-6-13(9-14)20-26(21,22)15-8-12(10-25-15)16-18-17(24-19-16)11-4-2-5-11/h3,6-11,20H,2,4-5H2,1H3.
What are the key properties of 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide?
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide has a molecular weight of 391.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 53042733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).