3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide

C19H22N2O2S — CID 51206987

IUPAC3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)NCCC(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N2O2S/c1-14-4-6-15(7-5-14)16-9-13-24-18(16)19(23)20-10-8-17(22)21-11-2-3-12-21/h4-7,9,13H,2-3,8,10-12H2,1H3,(H,20,23)
InChIKeyKIAAHKTVNJWUHJ-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.47
Rot. Bonds5

About 3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide

3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide (PubChem CID 51206987) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
PubChem CID51206987
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)NCCC(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N2O2S/c1-14-4-6-15(7-5-14)16-9-13-24-18(16)19(23)20-10-8-17(22)21-11-2-3-12-21/h4-7,9,13H,2-3,8,10-12H2,1H3,(H,20,23)
InChIKeyKIAAHKTVNJWUHJ-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 119500045
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 24633424
N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 119494952
1,4-diazepan-1-yl-[3-(4-methylphenyl)thiophen-2-yl]methanone;hydrochloride
CID 119414236
4-[(4-methylphenyl)sulfamoyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364351
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
N-[3-(azepan-1-yl)-3-oxopropyl]-2,3-dihydroxy-4-methylbenzamide
CID 167804588
3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 18275492
1-ethyl-2-[(4-methylphenyl)methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 111244965
N-[3-(azepan-1-yl)-3-oxopropyl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 75371481
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
N-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide
CID 115571750

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide (CID 51206987) is 3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)NCCC(=O)N2CCCC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide?
The InChIKey is KIAAHKTVNJWUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-14-4-6-15(7-5-14)16-9-13-24-18(16)19(23)20-10-8-17(22)21-11-2-3-12-21/h4-7,9,13H,2-3,8,10-12H2,1H3,(H,20,23).
What are the key properties of 3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide?
3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 51206987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).