N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide

C23H20N2O2S — CID 1395884

IUPACN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccs2)c1
InChIInChI=1S/C23H20N2O2S/c1-15-5-3-6-19(12-15)25(23(27)21-7-4-10-28-21)14-18-13-17-11-16(2)8-9-20(17)24-22(18)26/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyDJZPAFNUKDGIDO-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.05
Rot. Bonds4

About N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide

N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide (PubChem CID 1395884) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
PubChem CID1395884
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccs2)c1
InChIInChI=1S/C23H20N2O2S/c1-15-5-3-6-19(12-15)25(23(27)21-7-4-10-28-21)14-18-13-17-11-16(2)8-9-20(17)24-22(18)26/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyDJZPAFNUKDGIDO-UHFFFAOYSA-N
XLogP5.05
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide 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

Thiofuranylfentanyl
CID 137700027
(5R)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
CID 146026048
N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide
CID 155801622
SARS-CoV-2 PLpro Inhibitor, 65
CID 156907310
N-(2,6-dimethylphenyl)[1-(2-thienylcarbonyl)(4-piperidyl)]carboxamide
CID 1075575
N-[3-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8197605
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9074003
Thiophene-2-carboxylic acid [2-(1-methyl-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-yl)-ethyl]-amide
CID 10430432
N-[4-(4,10-Dihydro-1-thia-9-aza-benzo[f]azulene-9-carbonyl)-phenyl]-2-methyl-benzamide
CID 15308000
N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 151826414
Cambridge id 5272675
CID 1377411
SARS-CoV-2 PLpro Inhibitor, 66
CID 156907311

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide (CID 1395884) is N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide is Cc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccs2)c1.
What is the InChIKey of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide?
The InChIKey is DJZPAFNUKDGIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-15-5-3-6-19(12-15)25(23(27)21-7-4-10-28-21)14-18-13-17-11-16(2)8-9-20(17)24-22(18)26/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide?
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 1395884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).