N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide

C19H24N2O5S — CID 1100061

IUPACN-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1OC
InChIInChI=1S/C19H24N2O5S/c1-13-6-7-14(2)16(10-13)21(27(5,23)24)12-19(22)20-15-8-9-17(25-3)18(11-15)26-4/h6-11H,12H2,1-5H3,(H,20,22)
InChIKeyFFUDKGCUHCJUDC-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.73
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide

N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 1100061) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID1100061
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1OC
InChIInChI=1S/C19H24N2O5S/c1-13-6-7-14(2)16(10-13)21(27(5,23)24)12-19(22)20-15-8-9-17(25-3)18(11-15)26-4/h6-11H,12H2,1-5H3,(H,20,22)
InChIKeyFFUDKGCUHCJUDC-UHFFFAOYSA-N
XLogP2.73
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3139212
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 1098011
N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153893
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-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 998382
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 994386
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1100045
N-(3,5-dichlorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 1095299
N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 3542360
N-(3,4-dimethoxyphenyl)-2-(N,2,4-trimethylanilino)acetamide
CID 78903073
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1099912

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide (CID 1100061) is N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide is COc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is FFUDKGCUHCJUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-13-6-7-14(2)16(10-13)21(27(5,23)24)12-19(22)20-15-8-9-17(25-3)18(11-15)26-4/h6-11H,12H2,1-5H3,(H,20,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide?
N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 392.48 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1100061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).