N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide

C19H23N3O4S — CID 113153893

IUPACN-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O4S/c1-13-5-6-14(2)18(11-13)22(27(4,25)26)12-19(24)21-17-9-7-16(8-10-17)20-15(3)23/h5-11H,12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeySWTJLVQOGOYCIN-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.67
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide

N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 113153893) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID113153893
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O4S/c1-13-5-6-14(2)18(11-13)22(27(4,25)26)12-19(24)21-17-9-7-16(8-10-17)20-15(3)23/h5-11H,12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeySWTJLVQOGOYCIN-UHFFFAOYSA-N
XLogP2.67
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 994386
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1100045
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1204044
N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 1100061
2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 113155819
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 998752
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1338023
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 30168671
N-[4-(cyanomethyl)phenyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1138681
methyl 4-[[2-(2,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 2212453
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 1204030
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 998677

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide (CID 113153893) is N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide is CC(=O)Nc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is SWTJLVQOGOYCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13-5-6-14(2)18(11-13)22(27(4,25)26)12-19(24)21-17-9-7-16(8-10-17)20-15(3)23/h5-11H,12H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide?
N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 389.48 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113153893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).