N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-5-thiophen-2-ylpentanamide

C21H26N2O2S — CID 110306130

IUPACN-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-5-thiophen-2-ylpentanamide
SMILESO=C(CCCCc1cccs1)N[C@H](C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C21H26N2O2S/c24-19(13-5-4-11-18-12-8-16-26-18)22-20(17-9-2-1-3-10-17)21(25)23-14-6-7-15-23/h1-3,8-10,12,16,20H,4-7,11,13-15H2,(H,22,24)/t20-/m0/s1
InChIKeyBKHBGSIRFZTCTI-FQEVSTJZSA-N
MW370.52 g/mol
LogP3.94
Rot. Bonds8

About N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-5-thiophen-2-ylpentanamide

N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-5-thiophen-2-ylpentanamide (PubChem CID 110306130) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-5-thiophen-2-ylpentanamide
PubChem CID110306130
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-5-thiophen-2-ylpentanamide
SMILESO=C(CCCCc1cccs1)N[C@H](C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C21H26N2O2S/c24-19(13-5-4-11-18-12-8-16-26-18)22-20(17-9-2-1-3-10-17)21(25)23-14-6-7-15-23/h1-3,8-10,12,16,20H,4-7,11,13-15H2,(H,22,24)/t20-/m0/s1
InChIKeyBKHBGSIRFZTCTI-FQEVSTJZSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-5-thiophen-2-ylpentanamide 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-phenyl-2-(6-thiophen-2-ylhexanoylamino)acetic acid
CID 119367978
N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 31697369
5-(4-fluorophenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]pentanamide
CID 110306179
2-(6-thiophen-2-ylhexanoylamino)butanoic acid
CID 119224095
N-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide
CID 114300037
3-(3-chlorophenyl)-N-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 110626084
4-(4-chlorophenyl)-4-oxo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide
CID 110306132
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide
CID 110286990
3-(6-thiophen-2-ylhexanoylamino)butanoic acid
CID 119221489
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-phenoxybutanamide
CID 110287024
2-(1-methylpyrazol-4-yl)-2-(4-thiophen-2-ylbutanoylamino)acetic acid
CID 115288173
3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110426726

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-5-thiophen-2-ylpentanamide?
The IUPAC name of N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-5-thiophen-2-ylpentanamide (CID 110306130) is N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-5-thiophen-2-ylpentanamide is O=C(CCCCc1cccs1)N[C@H](C(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-5-thiophen-2-ylpentanamide?
The InChIKey is BKHBGSIRFZTCTI-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O2S/c24-19(13-5-4-11-18-12-8-16-26-18)22-20(17-9-2-1-3-10-17)21(25)23-14-6-7-15-23/h1-3,8-10,12,16,20H,4-7,11,13-15H2,(H,22,24)/t20-/m0/s1.
What are the key properties of N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-5-thiophen-2-ylpentanamide?
N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-5-thiophen-2-ylpentanamide has a molecular weight of 370.52 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 110306130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).