1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea

C16H17N3O2S — CID 71876955

IUPAC1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea
SMILESO=C(NCc1ccsc1)NC1CCN(c2ccccc2)C1=O
InChIInChI=1S/C16H17N3O2S/c20-15-14(6-8-19(15)13-4-2-1-3-5-13)18-16(21)17-10-12-7-9-22-11-12/h1-5,7,9,11,14H,6,8,10H2,(H2,17,18,21)
InChIKeyYQXRMTXAZRBPBR-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.35
Rot. Bonds4

About 1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea

1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea (PubChem CID 71876955) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea
PubChem CID71876955
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea
SMILESO=C(NCc1ccsc1)NC1CCN(c2ccccc2)C1=O
InChIInChI=1S/C16H17N3O2S/c20-15-14(6-8-19(15)13-4-2-1-3-5-13)18-16(21)17-10-12-7-9-22-11-12/h1-5,7,9,11,14H,6,8,10H2,(H2,17,18,21)
InChIKeyYQXRMTXAZRBPBR-UHFFFAOYSA-N
XLogP2.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-thiophen-3-ylpropanamide
CID 95234437
1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-(thiophen-3-ylmethyl)urea
CID 154748485
4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 122001533
1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 154748467
1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95051231
4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524592
2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64816561
3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid
CID 122002288
1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 71838762
(2R)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-2-phenylbutanamide
CID 95234374
2-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-phenylpropanamide
CID 120592079
(3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide
CID 97260330

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea (CID 71876955) is 1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea is O=C(NCc1ccsc1)NC1CCN(c2ccccc2)C1=O.
What is the InChIKey of 1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea?
The InChIKey is YQXRMTXAZRBPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-15-14(6-8-19(15)13-4-2-1-3-5-13)18-16(21)17-10-12-7-9-22-11-12/h1-5,7,9,11,14H,6,8,10H2,(H2,17,18,21).
What are the key properties of 1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea?
1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea has a molecular weight of 315.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 71876955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).