2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-phenylacetamide

C17H20N2O5S — CID 645150

IUPAC2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-phenylacetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C17H20N2O5S/c1-23-14-9-10-16(24-2)15(11-14)19(25(3,21)22)12-17(20)18-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyYTYBJONMATXZSN-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.11
Rot. Bonds7

About 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-phenylacetamide

2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-phenylacetamide (PubChem CID 645150) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-phenylacetamide
PubChem CID645150
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-phenylacetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C17H20N2O5S/c1-23-14-9-10-16(24-2)15(11-14)19(25(3,21)22)12-17(20)18-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyYTYBJONMATXZSN-UHFFFAOYSA-N
XLogP2.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-Dimethoxyphenyl)acetamide
CID 77015
4-Morpholineacetamide, N-(3-methoxyphenyl)-
CID 218187
1-(2,5-Dimethoxyphenyl)-3-[4-(sulfamoylamino)phenyl]urea
CID 71718790
N-(2,5-dimethoxyphenyl)-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]methanesulfonamide
CID 846544
N-(3-Methoxy-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 846687
N-(2,5-Dimethoxy-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 1102396
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[methanesulfonyl-(2-methoxy-phenyl)-amino]-acetamide
CID 655700
N-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 1149662
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 1010065
N~2~-(3-methoxyphenyl)-N~2~-(methylsulfonyl)-N~1~-[2-(phenylthio)ethyl]glycinamide
CID 2213884
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 137353879
2-(3-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 645309

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-phenylacetamide?
The IUPAC name of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-phenylacetamide (CID 645150) is 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-phenylacetamide.
What is the SMILES notation for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-phenylacetamide?
The canonical SMILES for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-phenylacetamide is COc1ccc(OC)c(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-phenylacetamide?
The InChIKey is YTYBJONMATXZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-23-14-9-10-16(24-2)15(11-14)19(25(3,21)22)12-17(20)18-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-phenylacetamide?
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-phenylacetamide has a molecular weight of 364.42 g/mol, XLogP of 2.11, 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-phenylacetamide is sourced from PubChem (CID 645150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).