N-[[1-[2-[3-[[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]propanamide

C23H29ClN4O5S3 — CID 20581629

About N-[[1-[2-[3-[[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]propanamide

N-[[1-[2-[3-[[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]propanamide (PubChem CID 20581629) has the molecular formula C23H29ClN4O5S3 and a molecular weight of 573.16 g/mol. Its IUPAC name is N-[[1-[2-[3-[[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

• Compound Name: N-[[1-[2-[3-[[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]propanamide
• PubChem CID: 20581629
• Molecular Formula: C23H29ClN4O5S3
• Molecular Weight: 573.16 g/mol
• Exact Mass: 572.10
• IUPAC Name: N-[[1-[2-[3-[[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]propanamide
• SMILES: CCC(=O)NCC1CCCN1C(=O)CN1CCCC(NS(=O)(=O)c2ccc(-c3ccc(Cl)s3)s2)C1=O
• InChI: InChI=1S/C23H29ClN4O5S3/c1-2-20(29)25-13-15-5-3-12-28(15)21(30)14-27-11-4-6-16(23(27)31)26-36(32,33)22-10-8-18(35-22)17-7-9-19(24)34-17/h7-10,15-16,26H,2-6,11-14H2,1H3,(H,25,29)
• InChIKey: GPVVMEGJCOPNAL-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 115.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.16
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[3-[[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]propanamide?

The IUPAC name of N-[[1-[2-[3-[[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]propanamide (CID 20581629) is N-[[1-[2-[3-[[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]propanamide.

What is the SMILES notation for N-[[1-[2-[3-[[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]propanamide?

The canonical SMILES for N-[[1-[2-[3-[[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]propanamide is CCC(=O)NCC1CCCN1C(=O)CN1CCCC(NS(=O)(=O)c2ccc(-c3ccc(Cl)s3)s2)C1=O.

What is the InChIKey of N-[[1-[2-[3-[[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]propanamide?

The InChIKey is GPVVMEGJCOPNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O5S3/c1-2-20(29)25-13-15-5-3-12-28(15)21(30)14-27-11-4-6-16(23(27)31)26-36(32,33)22-10-8-18(35-22)17-7-9-19(24)34-17/h7-10,15-16,26H,2-6,11-14H2,1H3,(H,25,29).

What are the key properties of N-[[1-[2-[3-[[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]propanamide?

N-[[1-[2-[3-[[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]propanamide has a molecular weight of 573.16 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[2-[3-[[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 20581629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).