2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(3-phenylpropyl)propanamide

C27H29N3O4S — CID 20865784

IUPAC2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(3-phenylpropyl)propanamide
SMILESO=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NCCCc3ccccc3)ccc2N1
InChIInChI=1S/C27H29N3O4S/c31-26-16-13-22-19-23(14-15-24(22)29-26)35(33,34)30-25(18-21-10-5-2-6-11-21)27(32)28-17-7-12-20-8-3-1-4-9-20/h1-6,8-11,14-15,19,25,30H,7,12-13,16-18H2,(H,28,32)(H,29,31)
InChIKeyXXVMTCMLZMNSEQ-UHFFFAOYSA-N
MW491.61 g/mol
LogP3.21
Rot. Bonds10

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

2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(3-phenylpropyl)propanamide (PubChem CID 20865784) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(3-phenylpropyl)propanamide
PubChem CID20865784
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC Name2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(3-phenylpropyl)propanamide
SMILESO=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NCCCc3ccccc3)ccc2N1
InChIInChI=1S/C27H29N3O4S/c31-26-16-13-22-19-23(14-15-24(22)29-26)35(33,34)30-25(18-21-10-5-2-6-11-21)27(32)28-17-7-12-20-8-3-1-4-9-20/h1-6,8-11,14-15,19,25,30H,7,12-13,16-18H2,(H,28,32)(H,29,31)
InChIKeyXXVMTCMLZMNSEQ-UHFFFAOYSA-N
XLogP3.21
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865835
N-[2-(3-methylphenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865828
(2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 92665630
N-[[4-(dimethylamino)phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865834
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-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46557664
N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 20865797
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-[4-(4-chlorophenyl)-2-oxo-1-phenylbutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 146798513
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 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(3-phenylpropyl)propanamide?
The IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(3-phenylpropyl)propanamide (CID 20865784) is 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(3-phenylpropyl)propanamide is O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NCCCc3ccccc3)ccc2N1.
What is the InChIKey of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(3-phenylpropyl)propanamide?
The InChIKey is XXVMTCMLZMNSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c31-26-16-13-22-19-23(14-15-24(22)29-26)35(33,34)30-25(18-21-10-5-2-6-11-21)27(32)28-17-7-12-20-8-3-1-4-9-20/h1-6,8-11,14-15,19,25,30H,7,12-13,16-18H2,(H,28,32)(H,29,31).
What are the key properties of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(3-phenylpropyl)propanamide?
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(3-phenylpropyl)propanamide has a molecular weight of 491.61 g/mol, XLogP of 3.21, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 20865784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).