3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide

C19H21ClN2O2S — CID 45172891

IUPAC3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCC1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCc1cccs1
InChIInChI=1S/C19H21ClN2O2S/c20-15-5-3-14(4-6-15)12-19(10-8-18(24)22-19)9-7-17(23)21-13-16-2-1-11-25-16/h1-6,11H,7-10,12-13H2,(H,21,23)(H,22,24)
InChIKeyAFMIRBJIDSWHOH-UHFFFAOYSA-N
MW376.91 g/mol
LogP3.69
Rot. Bonds7

About 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide

3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 45172891) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID45172891
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCC1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCc1cccs1
InChIInChI=1S/C19H21ClN2O2S/c20-15-5-3-14(4-6-15)12-19(10-8-18(24)22-19)9-7-17(23)21-13-16-2-1-11-25-16/h1-6,11H,7-10,12-13H2,(H,21,23)(H,22,24)
InChIKeyAFMIRBJIDSWHOH-UHFFFAOYSA-N
XLogP3.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide (CID 45172891) is 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide is O=C(CCC1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCc1cccs1.
What is the InChIKey of 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is AFMIRBJIDSWHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c20-15-5-3-14(4-6-15)12-19(10-8-18(24)22-19)9-7-17(23)21-13-16-2-1-11-25-16/h1-6,11H,7-10,12-13H2,(H,21,23)(H,22,24).
What are the key properties of 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 376.91 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 45172891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).