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

C18H17ClN4O4S2 — CID 16854813

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

1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 16854813) has the molecular formula C18H17ClN4O4S2 and a molecular weight of 452.95 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 16854813
• Molecular Formula: C18H17ClN4O4S2
• Molecular Weight: 452.95 g/mol
• Exact Mass: 452.04
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
• SMILES: Cc1cccc(-c2nnc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(Cl)s3)o2)c1
• InChI: InChI=1S/C18H17ClN4O4S2/c1-11-4-2-5-12(10-11)17-21-22-18(27-17)20-16(24)13-6-3-9-23(13)29(25,26)15-8-7-14(19)28-15/h2,4-5,7-8,10,13H,3,6,9H2,1H3,(H,20,22,24)
• InChIKey: XNEVZYVXDQDJNQ-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.95
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide (CID 16854813) is 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide.

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

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide is Cc1cccc(-c2nnc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(Cl)s3)o2)c1.

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

The InChIKey is XNEVZYVXDQDJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4S2/c1-11-4-2-5-12(10-11)17-21-22-18(27-17)20-16(24)13-6-3-9-23(13)29(25,26)15-8-7-14(19)28-15/h2,4-5,7-8,10,13H,3,6,9H2,1H3,(H,20,22,24).

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

1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 452.95 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 16854813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).