3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenyl-N-(4-propan-2-ylphenyl)propanamide

C27H28N2O4S — CID 159368180

IUPAC3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenyl-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)C(CS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)cc1
InChIInChI=1S/C27H28N2O4S/c1-18(2)19-8-11-22(12-9-19)28-27(31)24(20-6-4-3-5-7-20)17-34(32,33)23-13-14-25-21(16-23)10-15-26(30)29-25/h3-9,11-14,16,18,24H,10,15,17H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyDJDDKJODMPVBAQ-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.89
Rot. Bonds7

About 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenyl-N-(4-propan-2-ylphenyl)propanamide

3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenyl-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 159368180) has the molecular formula C27H28N2O4S and a molecular weight of 476.60 g/mol. Its IUPAC name is 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenyl-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenyl-N-(4-propan-2-ylphenyl)propanamide
PubChem CID159368180
Molecular FormulaC27H28N2O4S
Molecular Weight476.60 g/mol
Exact Mass476.18
IUPAC Name3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenyl-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)C(CS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)cc1
InChIInChI=1S/C27H28N2O4S/c1-18(2)19-8-11-22(12-9-19)28-27(31)24(20-6-4-3-5-7-20)17-34(32,33)23-13-14-25-21(16-23)10-15-26(30)29-25/h3-9,11-14,16,18,24H,10,15,17H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyDJDDKJODMPVBAQ-UHFFFAOYSA-N
XLogP4.89
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenylpropanamide
CID 161104350
2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55383913
N-(4-bromo-3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864405
2-oxo-N-(3-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8519442
(2R)-2-[ethyl(methyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenylacetamide
CID 95325616
2-(diethylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenylacetamide
CID 71879037
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55629961
N-(3-methoxyphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864411
N-(3-chloro-2-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864432
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46282208
2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784440

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenyl-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenyl-N-(4-propan-2-ylphenyl)propanamide (CID 159368180) is 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenyl-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenyl-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenyl-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)C(CS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)cc1.
What is the InChIKey of 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenyl-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is DJDDKJODMPVBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4S/c1-18(2)19-8-11-22(12-9-19)28-27(31)24(20-6-4-3-5-7-20)17-34(32,33)23-13-14-25-21(16-23)10-15-26(30)29-25/h3-9,11-14,16,18,24H,10,15,17H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenyl-N-(4-propan-2-ylphenyl)propanamide?
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenyl-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 476.60 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenyl-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 159368180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).