3-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

C16H14ClN3O4S2 — CID 53133850

IUPAC3-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1cccs1)c1nc(CCS(=O)(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H14ClN3O4S2/c17-11-3-5-13(6-4-11)26(22,23)9-7-14-19-16(24-20-14)15(21)18-10-12-2-1-8-25-12/h1-6,8H,7,9-10H2,(H,18,21)
InChIKeyBRDWEXVGKREDIT-UHFFFAOYSA-N
MW411.89 g/mol
LogP2.73
Rot. Bonds7

About 3-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

3-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53133850) has the molecular formula C16H14ClN3O4S2 and a molecular weight of 411.89 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID53133850
Molecular FormulaC16H14ClN3O4S2
Molecular Weight411.89 g/mol
Exact Mass411.01
IUPAC Name3-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1cccs1)c1nc(CCS(=O)(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H14ClN3O4S2/c17-11-3-5-13(6-4-11)26(22,23)9-7-14-19-16(24-20-14)15(21)18-10-12-2-1-8-25-12/h1-6,8H,7,9-10H2,(H,18,21)
InChIKeyBRDWEXVGKREDIT-UHFFFAOYSA-N
XLogP2.73
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide 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

3-[2-(4-chlorophenyl)sulfonylethyl]-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133847
3-[2-(4-chlorophenyl)sulfonylethyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 95092677
3-[3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 46355020
3-[2-(benzenesulfonyl)ethyl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133731
N-benzyl-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133962
N-[(4-fluorophenyl)methyl]-3-[2-(4-methylphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133793
3-[2-(4-methylphenyl)sulfonylethyl]-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133770
2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 68728428
3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-methylbutyl)-1,2,4-oxadiazole-5-carboxamide
CID 22579394
[3-[2-(4-chlorophenyl)sulfonylethyl]-1,2,4-oxadiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 53133834
3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 51364501
2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 18571918

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (CID 53133850) is 3-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCc1cccs1)c1nc(CCS(=O)(=O)c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is BRDWEXVGKREDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4S2/c17-11-3-5-13(6-4-11)26(22,23)9-7-14-19-16(24-20-14)15(21)18-10-12-2-1-8-25-12/h1-6,8H,7,9-10H2,(H,18,21).
What are the key properties of 3-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
3-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53133850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).