N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide

C18H22N2O5S — CID 3139212

IUPACN-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H22N2O5S/c1-13-7-5-6-8-15(13)20(26(4,22)23)12-18(21)19-14-9-10-16(24-2)17(11-14)25-3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyPAMLGHPIQMSMOT-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.42
Rot. Bonds7

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

N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 3139212) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID3139212
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H22N2O5S/c1-13-7-5-6-8-15(13)20(26(4,22)23)12-18(21)19-14-9-10-16(24-2)17(11-14)25-3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyPAMLGHPIQMSMOT-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-(3-chloro-4-methoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3335724
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 1098011
N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 1100061
N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 3542360
N-(3,5-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 8572707
2-(N-acetyl-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113167396
2-(2-methoxy-N-methylsulfonylanilino)-N-naphthalen-2-ylacetamide
CID 1326815
4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 32511900
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 37402033
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 37040678
N-(3,4-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 998735
2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 8574795

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide (CID 3139212) is N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide is COc1ccc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is PAMLGHPIQMSMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-13-7-5-6-8-15(13)20(26(4,22)23)12-18(21)19-14-9-10-16(24-2)17(11-14)25-3/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide?
N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)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 N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 3139212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).