N-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide

C28H32N4O4S — CID 20865835

IUPACN-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
SMILESCN(CCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1
InChIInChI=1S/C28H32N4O4S/c1-32(23-11-6-3-7-12-23)18-8-17-29-28(34)26(19-21-9-4-2-5-10-21)31-37(35,36)24-14-15-25-22(20-24)13-16-27(33)30-25/h2-7,9-12,14-15,20,26,31H,8,13,16-19H2,1H3,(H,29,34)(H,30,33)
InChIKeyRKSWQXGRNDCOOM-UHFFFAOYSA-N
MW520.66 g/mol
LogP3.10
Rot. Bonds11

About N-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide

N-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide (PubChem CID 20865835) has the molecular formula C28H32N4O4S and a molecular weight of 520.66 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
PubChem CID20865835
Molecular FormulaC28H32N4O4S
Molecular Weight520.66 g/mol
Exact Mass520.21
IUPAC NameN-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
SMILESCN(CCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1
InChIInChI=1S/C28H32N4O4S/c1-32(23-11-6-3-7-12-23)18-8-17-29-28(34)26(19-21-9-4-2-5-10-21)31-37(35,36)24-14-15-25-22(20-24)13-16-27(33)30-25/h2-7,9-12,14-15,20,26,31H,8,13,16-19H2,1H3,(H,29,34)(H,30,33)
InChIKeyRKSWQXGRNDCOOM-UHFFFAOYSA-N
XLogP3.10
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.66
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide with MolForge

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Related Compounds

2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(3-phenylpropyl)propanamide
CID 20865784
N-[[4-(dimethylamino)phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865834
N-[2-(3-methylphenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865828
2-(benzenesulfonamido)-N-[3-(N-methylanilino)propyl]-3-phenylpropanamide
CID 173172130
(2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 92665630
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865785
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865831
N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 20865797
N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46557664
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid
CID 16762964
(2S)-N-(3,3-diethoxypropyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 92665559
N-[1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 20865758

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide (CID 20865835) is N-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide is CN(CCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is RKSWQXGRNDCOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4S/c1-32(23-11-6-3-7-12-23)18-8-17-29-28(34)26(19-21-9-4-2-5-10-21)31-37(35,36)24-14-15-25-22(20-24)13-16-27(33)30-25/h2-7,9-12,14-15,20,26,31H,8,13,16-19H2,1H3,(H,29,34)(H,30,33).
What are the key properties of N-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide?
N-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 520.66 g/mol, XLogP of 3.10, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 20865835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).