N-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide

C20H20N2O4S — CID 110425693

IUPACN-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3cc(C)c(=O)[nH]c3c2)cc1
InChIInChI=1S/C20H20N2O4S/c1-13-3-7-17(8-4-13)27(25,26)10-9-19(23)21-16-6-5-15-11-14(2)20(24)22-18(15)12-16/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyJEKSLBJUHMBQGH-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.95
Rot. Bonds5

About N-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide

N-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 110425693) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID110425693
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3cc(C)c(=O)[nH]c3c2)cc1
InChIInChI=1S/C20H20N2O4S/c1-13-3-7-17(8-4-13)27(25,26)10-9-19(23)21-16-6-5-15-11-14(2)20(24)22-18(15)12-16/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyJEKSLBJUHMBQGH-UHFFFAOYSA-N
XLogP2.95
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110427931
3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110616370
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116
N-(1-benzothiophen-5-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 7544104
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 12559254
3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide
CID 8961396
4-(3-chlorophenyl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-oxobutanamide
CID 110613710
2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide
CID 110427972
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-2-(3-methylphenoxy)acetamide
CID 110668350
N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 8701315
N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 3421684
N-(4-chlorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390035

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide (CID 110425693) is N-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3cc(C)c(=O)[nH]c3c2)cc1.
What is the InChIKey of N-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is JEKSLBJUHMBQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-13-3-7-17(8-4-13)27(25,26)10-9-19(23)21-16-6-5-15-11-14(2)20(24)22-18(15)12-16/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 384.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 110425693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).