(2S)-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)butanamide

C17H25ClN2OS — CID 28631806

IUPAC(2S)-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)butanamide
SMILESCC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCCC1
InChIInChI=1S/C17H25ClN2OS/c1-2-16(22-15-8-6-14(18)7-9-15)17(21)19-10-5-13-20-11-3-4-12-20/h6-9,16H,2-5,10-13H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyQPDISRAEIPUOIE-INIZCTEOSA-N
MW340.92 g/mol
LogP3.81
Rot. Bonds8

About (2S)-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)butanamide

(2S)-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)butanamide (PubChem CID 28631806) has the molecular formula C17H25ClN2OS and a molecular weight of 340.92 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)butanamide
PubChem CID28631806
Molecular FormulaC17H25ClN2OS
Molecular Weight340.92 g/mol
Exact Mass340.14
IUPAC Name(2S)-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)butanamide
SMILESCC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCCC1
InChIInChI=1S/C17H25ClN2OS/c1-2-16(22-15-8-6-14(18)7-9-15)17(21)19-10-5-13-20-11-3-4-12-20/h6-9,16H,2-5,10-13H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyQPDISRAEIPUOIE-INIZCTEOSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.92
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 99952119
2-(4-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]butanamide
CID 132762741
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 29132971
(2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide
CID 93487779
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]butanamide
CID 30394251
(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide
CID 30392493
2-(4-chlorophenyl)sulfanyl-N-(cyclohexylmethyl)butanamide
CID 133235793
2-(4-chlorophenyl)sulfanyl-N-[3-(4-ethoxyphenyl)propyl]butanamide
CID 132659536
2-(4-methoxyphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)propanamide
CID 132760895
(2S)-2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 99950366
N-(2-benzylsulfanylethyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 43905507
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 28635758

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)butanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)butanamide (CID 28631806) is (2S)-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)butanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)butanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)butanamide is CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCCC1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)butanamide?
The InChIKey is QPDISRAEIPUOIE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25ClN2OS/c1-2-16(22-15-8-6-14(18)7-9-15)17(21)19-10-5-13-20-11-3-4-12-20/h6-9,16H,2-5,10-13H2,1H3,(H,19,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)butanamide?
(2S)-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)butanamide has a molecular weight of 340.92 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)butanamide is sourced from PubChem (CID 28631806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).