1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(1R)-1-phenylpropyl]thiourea

C20H23N3OS — CID 100649896

IUPAC1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(1R)-1-phenylpropyl]thiourea
SMILESCC[C@@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C20H23N3OS/c1-2-18(15-8-4-3-5-9-15)22-20(25)21-16-10-6-11-17(14-16)23-13-7-12-19(23)24/h3-6,8-11,14,18H,2,7,12-13H2,1H3,(H2,21,22,25)/t18-/m1/s1
InChIKeyUDBVZBVNNVBJRK-GOSISDBHSA-N
MW353.49 g/mol
LogP4.25
Rot. Bonds5

About 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(1R)-1-phenylpropyl]thiourea

1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(1R)-1-phenylpropyl]thiourea (PubChem CID 100649896) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(1R)-1-phenylpropyl]thiourea.

Molecular Properties

Compound Name1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(1R)-1-phenylpropyl]thiourea
PubChem CID100649896
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(1R)-1-phenylpropyl]thiourea
SMILESCC[C@@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C20H23N3OS/c1-2-18(15-8-4-3-5-9-15)22-20(25)21-16-10-6-11-17(14-16)23-13-7-12-19(23)24/h3-6,8-11,14,18H,2,7,12-13H2,1H3,(H2,21,22,25)/t18-/m1/s1
InChIKeyUDBVZBVNNVBJRK-GOSISDBHSA-N
XLogP4.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(4-methoxyphenyl)propyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100653135
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[1-(4-pyrrolidin-1-ylphenyl)ethyl]thiourea
CID 133216249
1-[(1S)-3-methyl-1-phenylbutyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100654739
(2R)-2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 124626736
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-phenylsulfanylethyl)thiourea
CID 92541830
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide
CID 121052835
1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100580583
1-[(1S)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100717504
3-amino-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide
CID 119692837
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 92541809
1-[(1S)-1-(3,4-dimethylphenyl)propyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100731644
1-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100758110

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(1R)-1-phenylpropyl]thiourea?
The IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(1R)-1-phenylpropyl]thiourea (CID 100649896) is 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(1R)-1-phenylpropyl]thiourea.
What is the SMILES notation for 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(1R)-1-phenylpropyl]thiourea?
The canonical SMILES for 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(1R)-1-phenylpropyl]thiourea is CC[C@@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccccc1.
What is the InChIKey of 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(1R)-1-phenylpropyl]thiourea?
The InChIKey is UDBVZBVNNVBJRK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-2-18(15-8-4-3-5-9-15)22-20(25)21-16-10-6-11-17(14-16)23-13-7-12-19(23)24/h3-6,8-11,14,18H,2,7,12-13H2,1H3,(H2,21,22,25)/t18-/m1/s1.
What are the key properties of 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(1R)-1-phenylpropyl]thiourea?
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(1R)-1-phenylpropyl]thiourea has a molecular weight of 353.49 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(1R)-1-phenylpropyl]thiourea is sourced from PubChem (CID 100649896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).