2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide

C18H19NO6S — CID 23409029

IUPAC2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide
SMILESCOc1ccc(C(=O)CS(=O)(=O)CC(=O)Nc2ccccc2)c(OC)c1
InChIInChI=1S/C18H19NO6S/c1-24-14-8-9-15(17(10-14)25-2)16(20)11-26(22,23)12-18(21)19-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyWHFASYRPMDPPRU-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.94
Rot. Bonds8

About 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide

2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide (PubChem CID 23409029) has the molecular formula C18H19NO6S and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide
PubChem CID23409029
Molecular FormulaC18H19NO6S
Molecular Weight377.42 g/mol
Exact Mass377.09
IUPAC Name2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide
SMILESCOc1ccc(C(=O)CS(=O)(=O)CC(=O)Nc2ccccc2)c(OC)c1
InChIInChI=1S/C18H19NO6S/c1-24-14-8-9-15(17(10-14)25-2)16(20)11-26(22,23)12-18(21)19-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyWHFASYRPMDPPRU-UHFFFAOYSA-N
XLogP1.94
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide
CID 23409030
(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate
CID 2409406
2-anilino-1-(2,4-dimethoxyphenyl)ethanone
CID 94281074
2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid
CID 45418219
2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751
1-(2,4-dimethoxyphenyl)-4,4-difluorobutane-1,3-dione
CID 43118287
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
2-methoxy-4-[(2-methylsulfonylacetyl)amino]benzoic acid
CID 107208815
2-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)acetamide
CID 9403807
3-(2,4-dimethoxyphenyl)-3-oxopropane-1-sulfonic acid
CID 94698324
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 28589422

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide?
The IUPAC name of 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide (CID 23409029) is 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide?
The canonical SMILES for 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide is COc1ccc(C(=O)CS(=O)(=O)CC(=O)Nc2ccccc2)c(OC)c1.
What is the InChIKey of 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide?
The InChIKey is WHFASYRPMDPPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6S/c1-24-14-8-9-15(17(10-14)25-2)16(20)11-26(22,23)12-18(21)19-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide?
2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide has a molecular weight of 377.42 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide is sourced from PubChem (CID 23409029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).