N-[(2R)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylpiperazin-1-yl)sulfonylacetamide

C19H29ClN4O3S — CID 52536658

IUPACN-[(2R)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylpiperazin-1-yl)sulfonylacetamide
SMILESCN1CCN(S(=O)(=O)CC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CC1
InChIInChI=1S/C19H29ClN4O3S/c1-22-9-11-24(12-10-22)28(26,27)15-19(25)21-14-18(23-7-2-3-8-23)16-5-4-6-17(20)13-16/h4-6,13,18H,2-3,7-12,14-15H2,1H3,(H,21,25)/t18-/m0/s1
InChIKeyRHLNOSPPWWLTLG-SFHVURJKSA-N
MW428.99 g/mol
LogP1.17
Rot. Bonds7

About N-[(2R)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylpiperazin-1-yl)sulfonylacetamide

N-[(2R)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylpiperazin-1-yl)sulfonylacetamide (PubChem CID 52536658) has the molecular formula C19H29ClN4O3S and a molecular weight of 428.99 g/mol. Its IUPAC name is N-[(2R)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylpiperazin-1-yl)sulfonylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylpiperazin-1-yl)sulfonylacetamide
PubChem CID52536658
Molecular FormulaC19H29ClN4O3S
Molecular Weight428.99 g/mol
Exact Mass428.16
IUPAC NameN-[(2R)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylpiperazin-1-yl)sulfonylacetamide
SMILESCN1CCN(S(=O)(=O)CC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CC1
InChIInChI=1S/C19H29ClN4O3S/c1-22-9-11-24(12-10-22)28(26,27)15-19(25)21-14-18(23-7-2-3-8-23)16-5-4-6-17(20)13-16/h4-6,13,18H,2-3,7-12,14-15H2,1H3,(H,21,25)/t18-/m0/s1
InChIKeyRHLNOSPPWWLTLG-SFHVURJKSA-N
XLogP1.17
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.99
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylpiperazin-1-yl)sulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylpiperazin-1-yl)sulfonylacetamide?
The IUPAC name of N-[(2R)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylpiperazin-1-yl)sulfonylacetamide (CID 52536658) is N-[(2R)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylpiperazin-1-yl)sulfonylacetamide.
What is the SMILES notation for N-[(2R)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylpiperazin-1-yl)sulfonylacetamide?
The canonical SMILES for N-[(2R)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylpiperazin-1-yl)sulfonylacetamide is CN1CCN(S(=O)(=O)CC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CC1.
What is the InChIKey of N-[(2R)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylpiperazin-1-yl)sulfonylacetamide?
The InChIKey is RHLNOSPPWWLTLG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29ClN4O3S/c1-22-9-11-24(12-10-22)28(26,27)15-19(25)21-14-18(23-7-2-3-8-23)16-5-4-6-17(20)13-16/h4-6,13,18H,2-3,7-12,14-15H2,1H3,(H,21,25)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylpiperazin-1-yl)sulfonylacetamide?
N-[(2R)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylpiperazin-1-yl)sulfonylacetamide has a molecular weight of 428.99 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylpiperazin-1-yl)sulfonylacetamide is sourced from PubChem (CID 52536658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).