N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide

C18H22N2O4S — CID 1098104

IUPACN-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1cccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O4S/c1-13-8-9-15(10-14(13)2)19-18(21)12-20(25(4,22)23)16-6-5-7-17(11-16)24-3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyQSQQSWNSDQDACN-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.72
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide

N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 1098104) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID1098104
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1cccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O4S/c1-13-8-9-15(10-14(13)2)19-18(21)12-20(25(4,22)23)16-6-5-7-17(11-16)24-3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyQSQQSWNSDQDACN-UHFFFAOYSA-N
XLogP2.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 113155193
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30220125
N-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1302977
N-(2,6-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 21372888
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343143
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198587
N-(3-methoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 126032440
2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1318600
3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113144621
N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 1360894
N-(3,4-dimethylphenyl)-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide
CID 4136271
methyl 4-[[2-(3,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 113153933

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide (CID 1098104) is N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide is COc1cccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is QSQQSWNSDQDACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-8-9-15(10-14(13)2)19-18(21)12-20(25(4,22)23)16-6-5-7-17(11-16)24-3/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1098104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).