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

C21H26N4O4S — CID 55629961

IUPAC2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)Nc2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C21H26N4O4S/c1-13(2)25-30(28,29)18-8-5-16(6-9-18)23-21(27)14(3)22-17-7-10-19-15(12-17)4-11-20(26)24-19/h5-10,12-14,22,25H,4,11H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyPROOUNRMXZABPJ-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.70
Rot. Bonds7

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

2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 55629961) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID55629961
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)Nc2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C21H26N4O4S/c1-13(2)25-30(28,29)18-8-5-16(6-9-18)23-21(27)14(3)22-17-7-10-19-15(12-17)4-11-20(26)24-19/h5-10,12-14,22,25H,4,11H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyPROOUNRMXZABPJ-UHFFFAOYSA-N
XLogP2.70
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide with MolForge

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Related Compounds

2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 107903528
2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55434399
(2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 92665630
6-(3-methylbutan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737992
4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
CID 20933627
N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 41098440
N-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide
CID 55571147
methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate
CID 41012958
6-(1-methylsulfonylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 64629940
4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 80542372
(2S)-2-amino-3,3-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 61154271
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 159368180

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 55629961) is 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)Nc2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is PROOUNRMXZABPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-13(2)25-30(28,29)18-8-5-16(6-9-18)23-21(27)14(3)22-17-7-10-19-15(12-17)4-11-20(26)24-19/h5-10,12-14,22,25H,4,11H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 430.53 g/mol, XLogP of 2.70, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 55629961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).