N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C23H23FN2O3S — CID 53279394

IUPACN-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NCc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H23FN2O3S/c1-17-7-11-20(12-8-17)26(30(28,29)21-13-9-18(2)10-14-21)16-23(27)25-15-19-5-3-4-6-22(19)24/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyUJICZPGKKWMLPV-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.95
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 53279394) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID53279394
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NCc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H23FN2O3S/c1-17-7-11-20(12-8-17)26(30(28,29)21-13-9-18(2)10-14-21)16-23(27)25-15-19-5-3-4-6-22(19)24/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyUJICZPGKKWMLPV-UHFFFAOYSA-N
XLogP3.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 53280530
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51344460
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 30263745
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 1324576
2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide
CID 31254367
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 30303626
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1338759
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305918
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 1364923
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 2231836
N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 30228683
2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide
CID 17433674

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 53279394) is N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(N(CC(=O)NCc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is UJICZPGKKWMLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-17-7-11-20(12-8-17)26(30(28,29)21-13-9-18(2)10-14-21)16-23(27)25-15-19-5-3-4-6-22(19)24/h3-14H,15-16H2,1-2H3,(H,25,27).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 426.51 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 53279394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).