2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide

C18H22N2O5S — CID 1099912

IUPAC2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2ccc(C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O5S/c1-13-5-7-14(8-6-13)19-18(21)12-20(26(4,22)23)16-11-15(24-2)9-10-17(16)25-3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyKNORFFKTEBSIOG-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.42
Rot. Bonds7

About 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide

2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide (PubChem CID 1099912) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
PubChem CID1099912
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2ccc(C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O5S/c1-13-5-7-14(8-6-13)19-18(21)12-20(26(4,22)23)16-11-15(24-2)9-10-17(16)25-3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyKNORFFKTEBSIOG-UHFFFAOYSA-N
XLogP2.42
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 998382
N-[4-(cyanomethyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 51342784
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 1334036
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43910376
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 93488377
N-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 998604
N-(3,4-dichlorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 21372378
N-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 2209494
N-(3,5-dichlorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 1095299
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43880241
N-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30215347
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881187

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide (CID 1099912) is 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide is COc1ccc(OC)c(N(CC(=O)Nc2ccc(C)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
The InChIKey is KNORFFKTEBSIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-13-5-7-14(8-6-13)19-18(21)12-20(26(4,22)23)16-11-15(24-2)9-10-17(16)25-3/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide has a molecular weight of 378.45 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 1099912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).