N-(4-acetylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide

C19H22N2O4S — CID 113153931

IUPACN-(4-acetylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-13-5-10-18(11-14(13)2)21(26(4,24)25)12-19(23)20-17-8-6-16(7-9-17)15(3)22/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyRVSFZFCHDBRRON-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.91
Rot. Bonds6

About N-(4-acetylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide

N-(4-acetylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 113153931) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID113153931
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(4-acetylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-13-5-10-18(11-14(13)2)21(26(4,24)25)12-19(23)20-17-8-6-16(7-9-17)15(3)22/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyRVSFZFCHDBRRON-UHFFFAOYSA-N
XLogP2.91
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(3,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 113153933
N-(4-tert-butylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153927
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343143
N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 126261953
N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1001054
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1007877
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 126378158
2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 113155819
3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113142293
N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 2942786
2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 3324324
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 43908968

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide (CID 113153931) is N-(4-acetylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide is CC(=O)c1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is RVSFZFCHDBRRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13-5-10-18(11-14(13)2)21(26(4,24)25)12-19(23)20-17-8-6-16(7-9-17)15(3)22/h5-11H,12H2,1-4H3,(H,20,23).
What are the key properties of N-(4-acetylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide?
N-(4-acetylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 374.46 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113153931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).