N-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide

C22H20N2O2S — CID 112773074

IUPACN-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCC1CCc2ccccc2N1C(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C22H20N2O2S/c1-15-11-12-16-6-2-3-9-19(16)24(15)22(26)17-7-4-8-18(14-17)23-21(25)20-10-5-13-27-20/h2-10,13-15H,11-12H2,1H3,(H,23,25)
InChIKeyZZBIWPDVMPQMSV-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.98
Rot. Bonds3

About N-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide

N-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide (PubChem CID 112773074) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide
PubChem CID112773074
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCC1CCc2ccccc2N1C(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C22H20N2O2S/c1-15-11-12-16-6-2-3-9-19(16)24(15)22(26)17-7-4-8-18(14-17)23-21(25)20-10-5-13-27-20/h2-10,13-15H,11-12H2,1H3,(H,23,25)
InChIKeyZZBIWPDVMPQMSV-UHFFFAOYSA-N
XLogP4.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109057702
N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 119563326
N-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 78804920
[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
CID 845075
N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide
CID 112989553
N-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]thiophene-2-carboxamide
CID 8732814
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 119647658
N-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119381021
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide
CID 27557595
N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 46532752
[(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone
CID 7053300
N-[3-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 56556230

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide (CID 112773074) is N-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide is CC1CCc2ccccc2N1C(=O)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide?
The InChIKey is ZZBIWPDVMPQMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-15-11-12-16-6-2-3-9-19(16)24(15)22(26)17-7-4-8-18(14-17)23-21(25)20-10-5-13-27-20/h2-10,13-15H,11-12H2,1H3,(H,23,25).
What are the key properties of N-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide?
N-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 112773074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).