N-ethyl-1-[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide

C30H28N2O3S — CID 123956795

IUPACN-ethyl-1-[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2n(C(=O)CC2Cc3ccc(SC)cc3C2)c1=O)c1ccccc1
InChIInChI=1S/C30H28N2O3S/c1-3-31(24-10-5-4-6-11-24)29(34)26-19-22-9-7-8-12-27(22)32(30(26)35)28(33)17-20-15-21-13-14-25(36-2)18-23(21)16-20/h4-14,18-20H,3,15-17H2,1-2H3
InChIKeyLWFYQXPYFKZCKW-UHFFFAOYSA-N
MW496.63 g/mol
LogP5.84
Rot. Bonds6

About N-ethyl-1-[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide

N-ethyl-1-[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 123956795) has the molecular formula C30H28N2O3S and a molecular weight of 496.63 g/mol. Its IUPAC name is N-ethyl-1-[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID123956795
Molecular FormulaC30H28N2O3S
Molecular Weight496.63 g/mol
Exact Mass496.18
IUPAC NameN-ethyl-1-[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2n(C(=O)CC2Cc3ccc(SC)cc3C2)c1=O)c1ccccc1
InChIInChI=1S/C30H28N2O3S/c1-3-31(24-10-5-4-6-11-24)29(34)26-19-22-9-7-8-12-27(22)32(30(26)35)28(33)17-20-15-21-13-14-25(36-2)18-23(21)16-20/h4-14,18-20H,3,15-17H2,1-2H3
InChIKeyLWFYQXPYFKZCKW-UHFFFAOYSA-N
XLogP5.84
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.63
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-1-[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide with MolForge

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Related Compounds

N-ethyl-1-[2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide
CID 118001820
1-[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-2-yl)ethyl]-2-oxoquinoline-3-carboxylic acid
CID 142731855
N-ethyl-1-methyl-2-oxo-N-phenyl-1,8-naphthyridine-3-carboxamide
CID 18582865
1-(2,3-dihydro-1H-indene-2-carbonyl)-2-oxoquinoline-3-carboxylic acid
CID 142731852
N-ethyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-phenyl-1,8-naphthyridine-3-carboxamide
CID 43996164
N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(3-methylsulfanylphenyl)benzamide
CID 67673783
N-ethyl-8-methoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 1259476
N-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-2-oxoquinoline-3-carboxamide
CID 118001743
3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide
CID 29097744
N-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide
CID 22334703
2-chloro-5-methylsulfanyl-N-phenyl-N-prop-2-enylbenzamide
CID 38113942
N-ethyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754675

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of N-ethyl-1-[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide (CID 123956795) is N-ethyl-1-[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-1-[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for N-ethyl-1-[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide is CCN(C(=O)c1cc2ccccc2n(C(=O)CC2Cc3ccc(SC)cc3C2)c1=O)c1ccccc1.
What is the InChIKey of N-ethyl-1-[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is LWFYQXPYFKZCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O3S/c1-3-31(24-10-5-4-6-11-24)29(34)26-19-22-9-7-8-12-27(22)32(30(26)35)28(33)17-20-15-21-13-14-25(36-2)18-23(21)16-20/h4-14,18-20H,3,15-17H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide?
N-ethyl-1-[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide has a molecular weight of 496.63 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 123956795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).