1-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-(2-chlorothiophen-3-yl)urea

C16H16ClN3O2S — CID 125138278

IUPAC1-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-(2-chlorothiophen-3-yl)urea
SMILESO=C(Nc1ccsc1Cl)N[C@H]1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C16H16ClN3O2S/c17-14-12(7-9-23-14)18-16(22)19-13-6-8-20(15(13)21)10-11-4-2-1-3-5-11/h1-5,7,9,13H,6,8,10H2,(H2,18,19,22)/t13-/m0/s1
InChIKeyXHKFCSLEISDJRG-ZDUSSCGKSA-N
MW349.84 g/mol
LogP3.32
Rot. Bonds4

About 1-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-(2-chlorothiophen-3-yl)urea

1-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-(2-chlorothiophen-3-yl)urea (PubChem CID 125138278) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is 1-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-(2-chlorothiophen-3-yl)urea.

Molecular Properties

Compound Name1-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-(2-chlorothiophen-3-yl)urea
PubChem CID125138278
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC Name1-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-(2-chlorothiophen-3-yl)urea
SMILESO=C(Nc1ccsc1Cl)N[C@H]1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C16H16ClN3O2S/c17-14-12(7-9-23-14)18-16(22)19-13-6-8-20(15(13)21)10-11-4-2-1-3-5-11/h1-5,7,9,13H,6,8,10H2,(H2,18,19,22)/t13-/m0/s1
InChIKeyXHKFCSLEISDJRG-ZDUSSCGKSA-N
XLogP3.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-(2-chlorothiophen-3-yl)urea?
The IUPAC name of 1-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-(2-chlorothiophen-3-yl)urea (CID 125138278) is 1-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-(2-chlorothiophen-3-yl)urea.
What is the SMILES notation for 1-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-(2-chlorothiophen-3-yl)urea?
The canonical SMILES for 1-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-(2-chlorothiophen-3-yl)urea is O=C(Nc1ccsc1Cl)N[C@H]1CCN(Cc2ccccc2)C1=O.
What is the InChIKey of 1-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-(2-chlorothiophen-3-yl)urea?
The InChIKey is XHKFCSLEISDJRG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c17-14-12(7-9-23-14)18-16(22)19-13-6-8-20(15(13)21)10-11-4-2-1-3-5-11/h1-5,7,9,13H,6,8,10H2,(H2,18,19,22)/t13-/m0/s1.
What are the key properties of 1-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-(2-chlorothiophen-3-yl)urea?
1-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-(2-chlorothiophen-3-yl)urea has a molecular weight of 349.84 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-(2-chlorothiophen-3-yl)urea is sourced from PubChem (CID 125138278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).