N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C21H24N2O2S — CID 167929449

IUPACN-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCc1c(NC(=O)CCC2Cc3ccccc3NC2=O)sc2c1CCCC2
InChIInChI=1S/C21H24N2O2S/c1-13-16-7-3-5-9-18(16)26-21(13)23-19(24)11-10-15-12-14-6-2-4-8-17(14)22-20(15)25/h2,4,6,8,15H,3,5,7,9-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyZSUAUIJPSYFTGR-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.47
Rot. Bonds4

About N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 167929449) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID167929449
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCc1c(NC(=O)CCC2Cc3ccccc3NC2=O)sc2c1CCCC2
InChIInChI=1S/C21H24N2O2S/c1-13-16-7-3-5-9-18(16)26-21(13)23-19(24)11-10-15-12-14-6-2-4-8-17(14)22-20(15)25/h2,4,6,8,15H,3,5,7,9-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyZSUAUIJPSYFTGR-UHFFFAOYSA-N
XLogP4.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
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N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 167929449) is N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is Cc1c(NC(=O)CCC2Cc3ccccc3NC2=O)sc2c1CCCC2.
What is the InChIKey of N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is ZSUAUIJPSYFTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-13-16-7-3-5-9-18(16)26-21(13)23-19(24)11-10-15-12-14-6-2-4-8-17(14)22-20(15)25/h2,4,6,8,15H,3,5,7,9-12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 368.50 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 167929449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).