1-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea

C17H19N3O2S — CID 40912799

IUPAC1-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NC[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H19N3O2S/c21-16-9-13(12-20(16)14-5-2-1-3-6-14)10-18-17(22)19-11-15-7-4-8-23-15/h1-8,13H,9-12H2,(H2,18,19,22)/t13-/m0/s1
InChIKeyHEIUOUXQQFIUMW-ZDUSSCGKSA-N
MW329.43 g/mol
LogP2.60
Rot. Bonds5

About 1-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea

1-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 40912799) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID40912799
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NC[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H19N3O2S/c21-16-9-13(12-20(16)14-5-2-1-3-6-14)10-18-17(22)19-11-15-7-4-8-23-15/h1-8,13H,9-12H2,(H2,18,19,22)/t13-/m0/s1
InChIKeyHEIUOUXQQFIUMW-ZDUSSCGKSA-N
XLogP2.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 40913216
1-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 16920266
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 16920317
N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide
CID 40897485
1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea
CID 7215891
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]adamantane-1-carboxamide
CID 16918199
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2,2-diphenylacetamide
CID 16918291
1-benzyl-3-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913063
(3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 41468767
1-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 16923127
1-(4-methoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea
CID 16919921

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea (CID 40912799) is 1-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)NC[C@@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 1-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is HEIUOUXQQFIUMW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-16-9-13(12-20(16)14-5-2-1-3-6-14)10-18-17(22)19-11-15-7-4-8-23-15/h1-8,13H,9-12H2,(H2,18,19,22)/t13-/m0/s1.
What are the key properties of 1-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
1-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 329.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 40912799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).