4-(5-methylthiophen-2-yl)-N-pyrrolidin-3-ylbutanamide

C13H20N2OS — CID 119453783

IUPAC4-(5-methylthiophen-2-yl)-N-pyrrolidin-3-ylbutanamide
SMILESCc1ccc(CCCC(=O)NC2CCNC2)s1
InChIInChI=1S/C13H20N2OS/c1-10-5-6-12(17-10)3-2-4-13(16)15-11-7-8-14-9-11/h5-6,11,14H,2-4,7-9H2,1H3,(H,15,16)
InChIKeyLSIZHMIUWXKNBW-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.86
Rot. Bonds5

About 4-(5-methylthiophen-2-yl)-N-pyrrolidin-3-ylbutanamide

4-(5-methylthiophen-2-yl)-N-pyrrolidin-3-ylbutanamide (PubChem CID 119453783) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-N-pyrrolidin-3-ylbutanamide.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-N-pyrrolidin-3-ylbutanamide
PubChem CID119453783
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name4-(5-methylthiophen-2-yl)-N-pyrrolidin-3-ylbutanamide
SMILESCc1ccc(CCCC(=O)NC2CCNC2)s1
InChIInChI=1S/C13H20N2OS/c1-10-5-6-12(17-10)3-2-4-13(16)15-11-7-8-14-9-11/h5-6,11,14H,2-4,7-9H2,1H3,(H,15,16)
InChIKeyLSIZHMIUWXKNBW-UHFFFAOYSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(5-methylthiophen-2-yl)-N-pyrrolidin-3-ylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453431
3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451026
4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514194
4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449629
N-[(3S)-pyrrolidin-3-yl]decanamide
CID 79688087
4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119451917
2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662
5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide
CID 119451072
4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide
CID 79688237
1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one
CID 124590420
5-[[4-(5-methylthiophen-2-yl)butanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110444
N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
CID 62055887

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-N-pyrrolidin-3-ylbutanamide?
The IUPAC name of 4-(5-methylthiophen-2-yl)-N-pyrrolidin-3-ylbutanamide (CID 119453783) is 4-(5-methylthiophen-2-yl)-N-pyrrolidin-3-ylbutanamide.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-N-pyrrolidin-3-ylbutanamide?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-N-pyrrolidin-3-ylbutanamide is Cc1ccc(CCCC(=O)NC2CCNC2)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-N-pyrrolidin-3-ylbutanamide?
The InChIKey is LSIZHMIUWXKNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10-5-6-12(17-10)3-2-4-13(16)15-11-7-8-14-9-11/h5-6,11,14H,2-4,7-9H2,1H3,(H,15,16).
What are the key properties of 4-(5-methylthiophen-2-yl)-N-pyrrolidin-3-ylbutanamide?
4-(5-methylthiophen-2-yl)-N-pyrrolidin-3-ylbutanamide has a molecular weight of 252.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)-N-pyrrolidin-3-ylbutanamide is sourced from PubChem (CID 119453783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).