3-methyl-N-(2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide

C16H18N2OS — CID 24983095

IUPAC3-methyl-N-(2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C16H18N2OS/c1-12-8-11-20-15(12)16(19)17-13-6-2-3-7-14(13)18-9-4-5-10-18/h2-3,6-8,11H,4-5,9-10H2,1H3,(H,17,19)
InChIKeyHPPJADAQMPFDSO-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.91
Rot. Bonds3

About 3-methyl-N-(2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide

3-methyl-N-(2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide (PubChem CID 24983095) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-methyl-N-(2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
PubChem CID24983095
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name3-methyl-N-(2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C16H18N2OS/c1-12-8-11-20-15(12)16(19)17-13-6-2-3-7-14(13)18-9-4-5-10-18/h2-3,6-8,11H,4-5,9-10H2,1H3,(H,17,19)
InChIKeyHPPJADAQMPFDSO-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)thiophene-2-carboxamide
CID 2292972
N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{1,8-diazaspiro[4.5]decan-8-ylmethyl}benzamide
CID 25218555
N-phenyl-3-thiophenecarboxamide
CID 902479
N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
CID 2813415
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
4-[[2-[Ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide
CID 4848136
N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9266297
N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 9266840
4-ethyl-5-methyl-N-[2-(morpholin-4-yl)phenyl]thiophene-2-carboxamide
CID 9506651
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 17413594
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 724147
N-(3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 847872

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide (CID 24983095) is 3-methyl-N-(2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccccc1N1CCCC1.
What is the InChIKey of 3-methyl-N-(2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide?
The InChIKey is HPPJADAQMPFDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-12-8-11-20-15(12)16(19)17-13-6-2-3-7-14(13)18-9-4-5-10-18/h2-3,6-8,11H,4-5,9-10H2,1H3,(H,17,19).
What are the key properties of 3-methyl-N-(2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide?
3-methyl-N-(2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 24983095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).