5-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(2,5-dihydropyrrol-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide

About 5-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(2,5-dihydropyrrol-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide

5-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(2,5-dihydropyrrol-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide (PubChem CID 20581154) has the molecular formula C24H29ClN4O4S3 and a molecular weight of 569.17 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(2,5-dihydropyrrol-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name	5-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(2,5-dihydropyrrol-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide
PubChem CID	20581154
Molecular Formula	C24H29ClN4O4S3
Molecular Weight	569.17 g/mol
Exact Mass	568.10
IUPAC Name	5-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(2,5-dihydropyrrol-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide
SMILES	O=C1C(NS(=O)(=O)c2ccc(-c3ccc(Cl)s3)s2)CCCN1CC(=O)N1CCCC1CN1CC=CC1
InChI	InChI=1S/C24H29ClN4O4S3/c25-21-9-7-19(34-21)20-8-10-23(35-20)36(32,33)26-18-6-4-13-28(24(18)31)16-22(30)29-14-3-5-17(29)15-27-11-1-2-12-27/h1-2,7-10,17-18,26H,3-6,11-16H2
InChIKey	ADVHUUYXHUHIDN-UHFFFAOYSA-N
XLogP	3.26
TPSA	90.03 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	8
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.17
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 5-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(2,5-dihydropyrrol-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide (CID 20581154) is 5-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(2,5-dihydropyrrol-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide.

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

The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(2,5-dihydropyrrol-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide is O=C1C(NS(=O)(=O)c2ccc(-c3ccc(Cl)s3)s2)CCCN1CC(=O)N1CCCC1CN1CC=CC1.

What is the InChIKey of 5-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(2,5-dihydropyrrol-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide?

The InChIKey is ADVHUUYXHUHIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O4S3/c25-21-9-7-19(34-21)20-8-10-23(35-20)36(32,33)26-18-6-4-13-28(24(18)31)16-22(30)29-14-3-5-17(29)15-27-11-1-2-12-27/h1-2,7-10,17-18,26H,3-6,11-16H2.

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

5-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(2,5-dihydropyrrol-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 569.17 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-chlorothiophen-2-yl)-N-[1-[2-[2-(2,5-dihydropyrrol-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 20581154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).