1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea

C19H23N3O2S — CID 125163751

IUPAC1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea
SMILESCc1ccc(NC(=O)N[C@@H](C)Cc2cccs2)cc1N1CCCC1=O
InChIInChI=1S/C19H23N3O2S/c1-13-7-8-15(12-17(13)22-9-3-6-18(22)23)21-19(24)20-14(2)11-16-5-4-10-25-16/h4-5,7-8,10,12,14H,3,6,9,11H2,1-2H3,(H2,20,21,24)/t14-/m0/s1
InChIKeyVXRLXUMSGNMYAP-AWEZNQCLSA-N
MW357.48 g/mol
LogP3.94
Rot. Bonds5

About 1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea

1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea (PubChem CID 125163751) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea
PubChem CID125163751
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea
SMILESCc1ccc(NC(=O)N[C@@H](C)Cc2cccs2)cc1N1CCCC1=O
InChIInChI=1S/C19H23N3O2S/c1-13-7-8-15(12-17(13)22-9-3-6-18(22)23)21-19(24)20-14(2)11-16-5-4-10-25-16/h4-5,7-8,10,12,14H,3,6,9,11H2,1-2H3,(H2,20,21,24)/t14-/m0/s1
InChIKeyVXRLXUMSGNMYAP-AWEZNQCLSA-N
XLogP3.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[1-(2-methylphenoxy)propan-2-yl]urea
CID 74246414
[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 169357597
1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 118795968
N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680052
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679517
1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 95283473
1-(2,5-dimethylphenyl)-6-oxo-N-(1-thiophen-2-ylpropan-2-yl)-4,5-dihydropyridazine-3-carboxamide
CID 71897374
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 7686997
2,2-dimethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 7687770
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 17443162
N-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584450
1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[1-(2-methylphenoxy)propan-2-yl]thiourea
CID 133154725

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea?
The IUPAC name of 1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea (CID 125163751) is 1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea?
The canonical SMILES for 1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea is Cc1ccc(NC(=O)N[C@@H](C)Cc2cccs2)cc1N1CCCC1=O.
What is the InChIKey of 1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea?
The InChIKey is VXRLXUMSGNMYAP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13-7-8-15(12-17(13)22-9-3-6-18(22)23)21-19(24)20-14(2)11-16-5-4-10-25-16/h4-5,7-8,10,12,14H,3,6,9,11H2,1-2H3,(H2,20,21,24)/t14-/m0/s1.
What are the key properties of 1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea?
1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea has a molecular weight of 357.48 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea is sourced from PubChem (CID 125163751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).