(E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide

C26H38ClN5O5S2 — CID 20580952

About (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide

(E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide (PubChem CID 20580952) has the molecular formula C26H38ClN5O5S2 and a molecular weight of 600.21 g/mol. Its IUPAC name is (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[[4-(2-methylpropanoyl)piperazin-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-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide
• PubChem CID: 20580952
• Molecular Formula: C26H38ClN5O5S2
• Molecular Weight: 600.21 g/mol
• Exact Mass: 599.20
• IUPAC Name: (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide
• SMILES: CC(C)C(=O)N1CCN(CC2CCCN2C(=O)CN2CCCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)CC1
• InChI: InChI=1S/C26H38ClN5O5S2/c1-19(2)25(34)30-14-12-29(13-15-30)17-20-5-3-11-32(20)24(33)18-31-10-4-6-22(26(31)35)28-39(36,37)16-9-21-7-8-23(27)38-21/h7-9,16,19-20,22,28H,3-6,10-15,17-18H2,1-2H3/b16-9+
• InChIKey: JHMHCHNXLVPKDX-CXUHLZMHSA-N
• XLogP: 2.07
• TPSA: 110.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.21
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[[4-(2-methylpropanoyl)piperazin-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-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide (CID 20580952) is (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[[4-(2-methylpropanoyl)piperazin-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-[[4-(2-methylpropanoyl)piperazin-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-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide is CC(C)C(=O)N1CCN(CC2CCCN2C(=O)CN2CCCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)CC1.

What is the InChIKey of (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide?

The InChIKey is JHMHCHNXLVPKDX-CXUHLZMHSA-N. The full InChI is InChI=1S/C26H38ClN5O5S2/c1-19(2)25(34)30-14-12-29(13-15-30)17-20-5-3-11-32(20)24(33)18-31-10-4-6-22(26(31)35)28-39(36,37)16-9-21-7-8-23(27)38-21/h7-9,16,19-20,22,28H,3-6,10-15,17-18H2,1-2H3/b16-9+.

What are the key properties of (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide?

(E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide has a molecular weight of 600.21 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide is sourced from PubChem (CID 20580952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).