4-(cyclopropanecarbonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide

C17H15N3O4S2 — CID 110632113

IUPAC4-(cyclopropanecarbonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NCc2nc(-c3cccs3)no2)cc1)C1CC1
InChIInChI=1S/C17H15N3O4S2/c21-16(11-3-4-11)12-5-7-13(8-6-12)26(22,23)18-10-15-19-17(20-24-15)14-2-1-9-25-14/h1-2,5-9,11,18H,3-4,10H2
InChIKeyOWWHFNYJMWWENK-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.87
Rot. Bonds7

About 4-(cyclopropanecarbonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide

4-(cyclopropanecarbonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 110632113) has the molecular formula C17H15N3O4S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
PubChem CID110632113
Molecular FormulaC17H15N3O4S2
Molecular Weight389.46 g/mol
Exact Mass389.05
IUPAC Name4-(cyclopropanecarbonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NCc2nc(-c3cccs3)no2)cc1)C1CC1
InChIInChI=1S/C17H15N3O4S2/c21-16(11-3-4-11)12-5-7-13(8-6-12)26(22,23)18-10-15-19-17(20-24-15)14-2-1-9-25-14/h1-2,5-9,11,18H,3-4,10H2
InChIKeyOWWHFNYJMWWENK-UHFFFAOYSA-N
XLogP2.87
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(cyclopropanecarbonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide 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

4-nitro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 92801370
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110293472
N-(methylsulfamoyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 110632114
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexanecarboxamide
CID 110293437
2-oxo-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-dihydroindole-5-sulfonamide
CID 110293482
1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50947861
3-(benzenesulfonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 110310602
1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 50945072
4-fluoro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 27261087
4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 51096359
2-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 93173363
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110323255

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (CID 110632113) is 4-(cyclopropanecarbonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is O=C(c1ccc(S(=O)(=O)NCc2nc(-c3cccs3)no2)cc1)C1CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is OWWHFNYJMWWENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S2/c21-16(11-3-4-11)12-5-7-13(8-6-12)26(22,23)18-10-15-19-17(20-24-15)14-2-1-9-25-14/h1-2,5-9,11,18H,3-4,10H2.
What are the key properties of 4-(cyclopropanecarbonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
4-(cyclopropanecarbonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 389.46 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110632113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).