1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide

C19H19ClN4O4S3 — CID 43974112

About 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide

1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 43974112) has the molecular formula C19H19ClN4O4S3 and a molecular weight of 499.04 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 43974112
• Molecular Formula: C19H19ClN4O4S3
• Molecular Weight: 499.04 g/mol
• Exact Mass: 498.03
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
• SMILES: CSc1ccc(Cc2nnc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(Cl)s3)o2)cc1
• InChI: InChI=1S/C19H19ClN4O4S3/c1-29-13-6-4-12(5-7-13)11-16-22-23-19(28-16)21-18(25)14-3-2-10-24(14)31(26,27)17-9-8-15(20)30-17/h4-9,14H,2-3,10-11H2,1H3,(H,21,23,25)
• InChIKey: IJQPHTFGBRGMJS-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.04
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide (CID 43974112) is 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide is CSc1ccc(Cc2nnc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(Cl)s3)o2)cc1.

What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?

The InChIKey is IJQPHTFGBRGMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4S3/c1-29-13-6-4-12(5-7-13)11-16-22-23-19(28-16)21-18(25)14-3-2-10-24(14)31(26,27)17-9-8-15(20)30-17/h4-9,14H,2-3,10-11H2,1H3,(H,21,23,25).

What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?

1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 499.04 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43974112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).