N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide

C19H18FN3O4S — CID 20903526

IUPACN-(3-fluoro-4-methylphenyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1F
InChIInChI=1S/C19H18FN3O4S/c1-12-3-5-14(10-16(12)20)21-19(25)11-23(2)28(26,27)15-6-7-17-13(9-15)4-8-18(24)22-17/h3-10H,11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyRWWGQBWYPWXHRS-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.23
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide

N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide (PubChem CID 20903526) has the molecular formula C19H18FN3O4S and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide
PubChem CID20903526
Molecular FormulaC19H18FN3O4S
Molecular Weight403.44 g/mol
Exact Mass403.10
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1F
InChIInChI=1S/C19H18FN3O4S/c1-12-3-5-14(10-16(12)20)21-19(25)11-23(2)28(26,27)15-6-7-17-13(9-15)4-8-18(24)22-17/h3-10H,11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyRWWGQBWYPWXHRS-UHFFFAOYSA-N
XLogP2.23
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
N-(4-methylcyclohexyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide
CID 20903521
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 1319537
2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 20903544
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 7169612
N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 28546084
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide
CID 55956292
N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 4548442
N-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide
CID 30329958
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide
CID 2202584
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 41446708
N-(3-fluorophenyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 126459076

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide (CID 20903526) is N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide is Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide?
The InChIKey is RWWGQBWYPWXHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4S/c1-12-3-5-14(10-16(12)20)21-19(25)11-23(2)28(26,27)15-6-7-17-13(9-15)4-8-18(24)22-17/h3-10H,11H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide?
N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide has a molecular weight of 403.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 20903526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).