N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methyl-5-oxopyrrolidin-2-yl)propanamide

C13H17ClN2O2S — CID 126466783

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3-(2-methyl-5-oxopyrrolidin-2-yl)propanamide
SMILESCC1(CCC(=O)NCc2ccc(Cl)s2)CCC(=O)N1
InChIInChI=1S/C13H17ClN2O2S/c1-13(7-5-12(18)16-13)6-4-11(17)15-8-9-2-3-10(14)19-9/h2-3H,4-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyYAJUFJYWZLDZJA-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.47
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methyl-5-oxopyrrolidin-2-yl)propanamide

N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methyl-5-oxopyrrolidin-2-yl)propanamide (PubChem CID 126466783) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methyl-5-oxopyrrolidin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3-(2-methyl-5-oxopyrrolidin-2-yl)propanamide
PubChem CID126466783
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3-(2-methyl-5-oxopyrrolidin-2-yl)propanamide
SMILESCC1(CCC(=O)NCc2ccc(Cl)s2)CCC(=O)N1
InChIInChI=1S/C13H17ClN2O2S/c1-13(7-5-12(18)16-13)6-4-11(17)15-8-9-2-3-10(14)19-9/h2-3H,4-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyYAJUFJYWZLDZJA-UHFFFAOYSA-N
XLogP2.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methyl-5-oxopyrrolidin-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methyl-5-oxopyrrolidin-2-yl)propanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methyl-5-oxopyrrolidin-2-yl)propanamide (CID 126466783) is N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methyl-5-oxopyrrolidin-2-yl)propanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methyl-5-oxopyrrolidin-2-yl)propanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methyl-5-oxopyrrolidin-2-yl)propanamide is CC1(CCC(=O)NCc2ccc(Cl)s2)CCC(=O)N1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methyl-5-oxopyrrolidin-2-yl)propanamide?
The InChIKey is YAJUFJYWZLDZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c1-13(7-5-12(18)16-13)6-4-11(17)15-8-9-2-3-10(14)19-9/h2-3H,4-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methyl-5-oxopyrrolidin-2-yl)propanamide?
N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methyl-5-oxopyrrolidin-2-yl)propanamide has a molecular weight of 300.81 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methyl-5-oxopyrrolidin-2-yl)propanamide is sourced from PubChem (CID 126466783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).