N-(2-methylphenyl)-3-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanamide

C22H26N2O4S — CID 20855801

IUPACN-(2-methylphenyl)-3-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanamide
SMILESCCC(=O)N1CCCc2cc(S(=O)(=O)CCC(=O)Nc3ccccc3C)ccc21
InChIInChI=1S/C22H26N2O4S/c1-3-22(26)24-13-6-8-17-15-18(10-11-20(17)24)29(27,28)14-12-21(25)23-19-9-5-4-7-16(19)2/h4-5,7,9-11,15H,3,6,8,12-14H2,1-2H3,(H,23,25)
InChIKeyWSEXTKONAHUXKG-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.49
Rot. Bonds6

About N-(2-methylphenyl)-3-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanamide

N-(2-methylphenyl)-3-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanamide (PubChem CID 20855801) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanamide
PubChem CID20855801
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC NameN-(2-methylphenyl)-3-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanamide
SMILESCCC(=O)N1CCCc2cc(S(=O)(=O)CCC(=O)Nc3ccccc3C)ccc21
InChIInChI=1S/C22H26N2O4S/c1-3-22(26)24-13-6-8-17-15-18(10-11-20(17)24)29(27,28)14-12-21(25)23-19-9-5-4-7-16(19)2/h4-5,7,9-11,15H,3,6,8,12-14H2,1-2H3,(H,23,25)
InChIKeyWSEXTKONAHUXKG-UHFFFAOYSA-N
XLogP3.49
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methylphenyl)-3-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanamide 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-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
N-benzyl-3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-methylpropanamide
CID 5309738
N-(2-methylphenyl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 954269
N-{4-[(6-fluoro-2-methyl-3,4-dihydro-1(2H)-quinolinyl)sulfonyl]phenyl}acetamide
CID 2931012
2-(4-methylphenyl)sulfanyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4789030
N-[4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]acetamide
CID 749170
methyl 6-(benzylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 1511841
2-(4-ethylsulfonylphenyl)-N-[4-[2-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenyl]acetamide
CID 164621899
N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]propanamide
CID 893536
2-[(4-methylphenyl)thio]-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide
CID 2948127
N-(3,4-difluorophenyl)-3-[(1-propionyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide
CID 3236119

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanamide?
The IUPAC name of N-(2-methylphenyl)-3-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanamide (CID 20855801) is N-(2-methylphenyl)-3-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanamide.
What is the SMILES notation for N-(2-methylphenyl)-3-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanamide?
The canonical SMILES for N-(2-methylphenyl)-3-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanamide is CCC(=O)N1CCCc2cc(S(=O)(=O)CCC(=O)Nc3ccccc3C)ccc21.
What is the InChIKey of N-(2-methylphenyl)-3-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanamide?
The InChIKey is WSEXTKONAHUXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-3-22(26)24-13-6-8-17-15-18(10-11-20(17)24)29(27,28)14-12-21(25)23-19-9-5-4-7-16(19)2/h4-5,7,9-11,15H,3,6,8,12-14H2,1-2H3,(H,23,25).
What are the key properties of N-(2-methylphenyl)-3-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanamide?
N-(2-methylphenyl)-3-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanamide has a molecular weight of 414.53 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanamide is sourced from PubChem (CID 20855801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).