N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide

C24H25N3O2S — CID 8865667

IUPACN-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide
SMILESO=C(CCN[C@@H](c1ccccc1)c1cccs1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H25N3O2S/c28-22(26-19-10-12-20(13-11-19)27-16-4-9-23(27)29)14-15-25-24(21-8-5-17-30-21)18-6-2-1-3-7-18/h1-3,5-8,10-13,17,24-25H,4,9,14-16H2,(H,26,28)/t24-/m0/s1
InChIKeyAQDMWQLWNNDMDR-DEOSSOPVSA-N
MW419.55 g/mol
LogP4.58
Rot. Bonds8

About N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide

N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide (PubChem CID 8865667) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide
PubChem CID8865667
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide
SMILESO=C(CCN[C@@H](c1ccccc1)c1cccs1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H25N3O2S/c28-22(26-19-10-12-20(13-11-19)27-16-4-9-23(27)29)14-15-25-24(21-8-5-17-30-21)18-6-2-1-3-7-18/h1-3,5-8,10-13,17,24-25H,4,9,14-16H2,(H,26,28)/t24-/m0/s1
InChIKeyAQDMWQLWNNDMDR-DEOSSOPVSA-N
XLogP4.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide 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

3-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 8756360
2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41410548
(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[phenyl(thiophen-2-yl)methyl]prop-2-enamide
CID 46566075
3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 17397146
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-thiophen-2-ylpropanoate
CID 8601952
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46580043
N-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55866569
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
1-[(1S)-3-methyl-1-phenylbutyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100654739
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide
CID 27838033

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide?
The IUPAC name of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide (CID 8865667) is N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide.
What is the SMILES notation for N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide?
The canonical SMILES for N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide is O=C(CCN[C@@H](c1ccccc1)c1cccs1)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide?
The InChIKey is AQDMWQLWNNDMDR-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25N3O2S/c28-22(26-19-10-12-20(13-11-19)27-16-4-9-23(27)29)14-15-25-24(21-8-5-17-30-21)18-6-2-1-3-7-18/h1-3,5-8,10-13,17,24-25H,4,9,14-16H2,(H,26,28)/t24-/m0/s1.
What are the key properties of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide?
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide has a molecular weight of 419.55 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 8865667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).