N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C22H29N3O3S2 — CID 38258725

About N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 38258725) has the molecular formula C22H29N3O3S2 and a molecular weight of 447.63 g/mol. Its IUPAC name is N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
• PubChem CID: 38258725
• Molecular Formula: C22H29N3O3S2
• Molecular Weight: 447.63 g/mol
• Exact Mass: 447.17
• IUPAC Name: N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
• SMILES: CC1CCN([C@H](CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2cccs2)CC1
• InChI: InChI=1S/C22H29N3O3S2/c1-17-10-13-24(14-11-17)20(21-4-3-15-29-21)16-23-30(27,28)19-8-6-18(7-9-19)25-12-2-5-22(25)26/h3-4,6-9,15,17,20,23H,2,5,10-14,16H2,1H3/t20-/m1/s1
• InChIKey: YIVCKJQDSNVKOZ-HXUWFJFHSA-N
• XLogP: 3.63
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.63
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?

The IUPAC name of N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 38258725) is N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

What is the SMILES notation for N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?

The canonical SMILES for N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is CC1CCN([C@H](CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2cccs2)CC1.

What is the InChIKey of N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?

The InChIKey is YIVCKJQDSNVKOZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29N3O3S2/c1-17-10-13-24(14-11-17)20(21-4-3-15-29-21)16-23-30(27,28)19-8-6-18(7-9-19)25-12-2-5-22(25)26/h3-4,6-9,15,17,20,23H,2,5,10-14,16H2,1H3/t20-/m1/s1.

What are the key properties of N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?

N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 447.63 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 38258725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).