N-[1-[2-[2-[(4-acetylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-5-(5-chlorothiophen-2-yl)thiophene-2-sulfonamide

C26H34ClN5O5S3 — CID 20581575

About N-[1-[2-[2-[(4-acetylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-5-(5-chlorothiophen-2-yl)thiophene-2-sulfonamide

N-[1-[2-[2-[(4-acetylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-5-(5-chlorothiophen-2-yl)thiophene-2-sulfonamide (PubChem CID 20581575) has the molecular formula C26H34ClN5O5S3 and a molecular weight of 628.24 g/mol. Its IUPAC name is N-[1-[2-[2-[(4-acetylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-5-(5-chlorothiophen-2-yl)thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[1-[2-[2-[(4-acetylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-5-(5-chlorothiophen-2-yl)thiophene-2-sulfonamide
• PubChem CID: 20581575
• Molecular Formula: C26H34ClN5O5S3
• Molecular Weight: 628.24 g/mol
• Exact Mass: 627.14
• IUPAC Name: N-[1-[2-[2-[(4-acetylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-5-(5-chlorothiophen-2-yl)thiophene-2-sulfonamide
• SMILES: CC(=O)N1CCN(CC2CCCN2C(=O)CN2CCCC(NS(=O)(=O)c3ccc(-c4ccc(Cl)s4)s3)C2=O)CC1
• InChI: InChI=1S/C26H34ClN5O5S3/c1-18(33)30-14-12-29(13-15-30)16-19-4-2-11-32(19)24(34)17-31-10-3-5-20(26(31)35)28-40(36,37)25-9-7-22(39-25)21-6-8-23(27)38-21/h6-9,19-20,28H,2-5,10-17H2,1H3
• InChIKey: ZQVAPSNMBOZFPX-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 110.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	628.24
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-[(4-acetylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-5-(5-chlorothiophen-2-yl)thiophene-2-sulfonamide?

The IUPAC name of N-[1-[2-[2-[(4-acetylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-5-(5-chlorothiophen-2-yl)thiophene-2-sulfonamide (CID 20581575) is N-[1-[2-[2-[(4-acetylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-5-(5-chlorothiophen-2-yl)thiophene-2-sulfonamide.

What is the SMILES notation for N-[1-[2-[2-[(4-acetylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-5-(5-chlorothiophen-2-yl)thiophene-2-sulfonamide?

The canonical SMILES for N-[1-[2-[2-[(4-acetylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-5-(5-chlorothiophen-2-yl)thiophene-2-sulfonamide is CC(=O)N1CCN(CC2CCCN2C(=O)CN2CCCC(NS(=O)(=O)c3ccc(-c4ccc(Cl)s4)s3)C2=O)CC1.

What is the InChIKey of N-[1-[2-[2-[(4-acetylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-5-(5-chlorothiophen-2-yl)thiophene-2-sulfonamide?

The InChIKey is ZQVAPSNMBOZFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN5O5S3/c1-18(33)30-14-12-29(13-15-30)16-19-4-2-11-32(19)24(34)17-31-10-3-5-20(26(31)35)28-40(36,37)25-9-7-22(39-25)21-6-8-23(27)38-21/h6-9,19-20,28H,2-5,10-17H2,1H3.

What are the key properties of N-[1-[2-[2-[(4-acetylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-5-(5-chlorothiophen-2-yl)thiophene-2-sulfonamide?

N-[1-[2-[2-[(4-acetylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-5-(5-chlorothiophen-2-yl)thiophene-2-sulfonamide has a molecular weight of 628.24 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[2-[(4-acetylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-5-(5-chlorothiophen-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20581575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).