N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

C24H29N5O4S2 — CID 43935194

About N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 43935194) has the molecular formula C24H29N5O4S2 and a molecular weight of 515.66 g/mol. Its IUPAC name is N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
• PubChem CID: 43935194
• Molecular Formula: C24H29N5O4S2
• Molecular Weight: 515.66 g/mol
• Exact Mass: 515.17
• IUPAC Name: N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
• SMILES: Cc1ccc(NC(=O)C2CCCN(Cc3nc(-c4cccs4)no3)C2)cc1S(=O)(=O)N1CCCC1
• InChI: InChI=1S/C24H29N5O4S2/c1-17-8-9-19(14-21(17)35(31,32)29-11-2-3-12-29)25-24(30)18-6-4-10-28(15-18)16-22-26-23(27-33-22)20-7-5-13-34-20/h5,7-9,13-14,18H,2-4,6,10-12,15-16H2,1H3,(H,25,30)
• InChIKey: USBZVPGAOVPYGC-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 108.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.66
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?

The IUPAC name of N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 43935194) is N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?

The canonical SMILES for N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(Cc3nc(-c4cccs4)no3)C2)cc1S(=O)(=O)N1CCCC1.

What is the InChIKey of N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?

The InChIKey is USBZVPGAOVPYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S2/c1-17-8-9-19(14-21(17)35(31,32)29-11-2-3-12-29)25-24(30)18-6-4-10-28(15-18)16-22-26-23(27-33-22)20-7-5-13-34-20/h5,7-9,13-14,18H,2-4,6,10-12,15-16H2,1H3,(H,25,30).

What are the key properties of N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?

N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 515.66 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43935194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).