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

C27H29N3O4S — CID 20865828

IUPACN-[2-(3-methylphenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
SMILESCc1cccc(CCNC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1
InChIInChI=1S/C27H29N3O4S/c1-19-6-5-9-21(16-19)14-15-28-27(32)25(17-20-7-3-2-4-8-20)30-35(33,34)23-11-12-24-22(18-23)10-13-26(31)29-24/h2-9,11-12,16,18,25,30H,10,13-15,17H2,1H3,(H,28,32)(H,29,31)
InChIKeyOTJZDINBCIVYPK-UHFFFAOYSA-N
MW491.61 g/mol
LogP3.13
Rot. Bonds9

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

N-[2-(3-methylphenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide (PubChem CID 20865828) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
PubChem CID20865828
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC NameN-[2-(3-methylphenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
SMILESCc1cccc(CCNC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1
InChIInChI=1S/C27H29N3O4S/c1-19-6-5-9-21(16-19)14-15-28-27(32)25(17-20-7-3-2-4-8-20)30-35(33,34)23-11-12-24-22(18-23)10-13-26(31)29-24/h2-9,11-12,16,18,25,30H,10,13-15,17H2,1H3,(H,28,32)(H,29,31)
InChIKeyOTJZDINBCIVYPK-UHFFFAOYSA-N
XLogP3.13
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865835
(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
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide
CID 20856198
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
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538195

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide (CID 20865828) is N-[2-(3-methylphenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide is Cc1cccc(CCNC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is OTJZDINBCIVYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c1-19-6-5-9-21(16-19)14-15-28-27(32)25(17-20-7-3-2-4-8-20)30-35(33,34)23-11-12-24-22(18-23)10-13-26(31)29-24/h2-9,11-12,16,18,25,30H,10,13-15,17H2,1H3,(H,28,32)(H,29,31).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide?
N-[2-(3-methylphenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 491.61 g/mol, XLogP of 3.13, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 20865828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).