N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide

C20H22N2O3S — CID 110666154

IUPACN-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide
SMILESCc1cc2cc(CNS(=O)(=O)CCCc3ccccc3)ccc2[nH]c1=O
InChIInChI=1S/C20H22N2O3S/c1-15-12-18-13-17(9-10-19(18)22-20(15)23)14-21-26(24,25)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,21H,5,8,11,14H2,1H3,(H,22,23)
InChIKeyQTSNSUAVBSABCR-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.89
Rot. Bonds7

About N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide

N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide (PubChem CID 110666154) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide
PubChem CID110666154
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide
SMILESCc1cc2cc(CNS(=O)(=O)CCCc3ccccc3)ccc2[nH]c1=O
InChIInChI=1S/C20H22N2O3S/c1-15-12-18-13-17(9-10-19(18)22-20(15)23)14-21-26(24,25)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,21H,5,8,11,14H2,1H3,(H,22,23)
InChIKeyQTSNSUAVBSABCR-UHFFFAOYSA-N
XLogP2.89
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
CID 16800466
N-(2,4-dimethylphenyl)-2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 942741
N-(6-Methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-N-(2-m-tolyl-ethyl)-acetamide
CID 1453546
6,8-Dimethyl-3-[(2-m-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176405
N-cyclohexyl-4-methyl-2-oxo-1,2-dihydro-6-quinolinesulfonamide
CID 16824690
LY-395153
CID 656707
(R)-3,5-difluoro-N-(4-(1-(1-methylethylsulfonamido)propan-2-yl)phenyl)benzamide
CID 9843690
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]-2-methylprop-2-enamide
CID 11851590
N-(2,6-Diisopropyl-phenyl)-2-(2,6-diisopropyl-phenylsulfamoyl)-acetamide
CID 15341055
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-[3-ethenyl-4-(methanesulfonamido)phenyl]ethyl]-2-methylprop-2-enamide
CID 57665495
N-[1-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]piperidin-4-yl]acetamide
CID 89659448
N-(1-methyl-2-oxoquinolin-6-yl)cyclohexanesulfonamide
CID 118918719

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide (CID 110666154) is N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide is Cc1cc2cc(CNS(=O)(=O)CCCc3ccccc3)ccc2[nH]c1=O.
What is the InChIKey of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is QTSNSUAVBSABCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-15-12-18-13-17(9-10-19(18)22-20(15)23)14-21-26(24,25)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,21H,5,8,11,14H2,1H3,(H,22,23).
What are the key properties of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide?
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 370.47 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110666154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).