(E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[(2-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide

C24H35ClN4O4S2 — CID 20580936

About (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[(2-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide

(E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[(2-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide (PubChem CID 20580936) has the molecular formula C24H35ClN4O4S2 and a molecular weight of 543.16 g/mol. Its IUPAC name is (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[(2-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide.

Molecular Properties

• Compound Name: (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[(2-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide
• PubChem CID: 20580936
• Molecular Formula: C24H35ClN4O4S2
• Molecular Weight: 543.16 g/mol
• Exact Mass: 542.18
• IUPAC Name: (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[(2-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide
• SMILES: CC1CCCCN1CC1CCCN1C(=O)CN1CCCC(NS(=O)(=O)/C=C/c2ccc(Cl)s2)C1=O
• InChI: InChI=1S/C24H35ClN4O4S2/c1-18-6-2-3-12-27(18)16-19-7-4-14-29(19)23(30)17-28-13-5-8-21(24(28)31)26-35(32,33)15-11-20-9-10-22(25)34-20/h9-11,15,18-19,21,26H,2-8,12-14,16-17H2,1H3/b15-11+
• InChIKey: DMMRBUHEUIPECM-RVDMUPIBSA-N
• XLogP: 3.15
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.16
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[(2-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide?

The IUPAC name of (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[(2-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide (CID 20580936) is (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[(2-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide.

What is the SMILES notation for (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[(2-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide?

The canonical SMILES for (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[(2-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide is CC1CCCCN1CC1CCCN1C(=O)CN1CCCC(NS(=O)(=O)/C=C/c2ccc(Cl)s2)C1=O.

What is the InChIKey of (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[(2-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide?

The InChIKey is DMMRBUHEUIPECM-RVDMUPIBSA-N. The full InChI is InChI=1S/C24H35ClN4O4S2/c1-18-6-2-3-12-27(18)16-19-7-4-14-29(19)23(30)17-28-13-5-8-21(24(28)31)26-35(32,33)15-11-20-9-10-22(25)34-20/h9-11,15,18-19,21,26H,2-8,12-14,16-17H2,1H3/b15-11+.

What are the key properties of (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[(2-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide?

(E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[(2-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide has a molecular weight of 543.16 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[(2-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide is sourced from PubChem (CID 20580936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).