2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide

C19H21NO6S — CID 23409030

IUPAC2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide
SMILESCOc1ccc(C(=O)CS(=O)(=O)CC(=O)Nc2cccc(C)c2)c(OC)c1
InChIInChI=1S/C19H21NO6S/c1-13-5-4-6-14(9-13)20-19(22)12-27(23,24)11-17(21)16-8-7-15(25-2)10-18(16)26-3/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyJUWSYBBPWXRTCS-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.25
Rot. Bonds8

About 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide

2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide (PubChem CID 23409030) has the molecular formula C19H21NO6S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide
PubChem CID23409030
Molecular FormulaC19H21NO6S
Molecular Weight391.45 g/mol
Exact Mass391.11
IUPAC Name2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide
SMILESCOc1ccc(C(=O)CS(=O)(=O)CC(=O)Nc2cccc(C)c2)c(OC)c1
InChIInChI=1S/C19H21NO6S/c1-13-5-4-6-14(9-13)20-19(22)12-27(23,24)11-17(21)16-8-7-15(25-2)10-18(16)26-3/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyJUWSYBBPWXRTCS-UHFFFAOYSA-N
XLogP2.25
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 23409029
N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide
CID 39162194
1-(2,4-dimethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62387371
2-[4-methoxy-2-(trifluoromethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 71078628
ethyl 3-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetyl]amino]benzoate
CID 7732178
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998674
[2-(3-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7887503
2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 22773637
N-(3-methylphenyl)-2-prop-2-ynylsulfonylacetamide
CID 82368875
2-(4-methoxy-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62872071
2-[2-(3-methoxyanilino)-2-oxoethoxy]-4-methylbenzoic acid
CID 45418378
1-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea
CID 55978483

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide (CID 23409030) is 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide is COc1ccc(C(=O)CS(=O)(=O)CC(=O)Nc2cccc(C)c2)c(OC)c1.
What is the InChIKey of 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide?
The InChIKey is JUWSYBBPWXRTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6S/c1-13-5-4-6-14(9-13)20-19(22)12-27(23,24)11-17(21)16-8-7-15(25-2)10-18(16)26-3/h4-10H,11-12H2,1-3H3,(H,20,22).
What are the key properties of 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide?
2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide has a molecular weight of 391.45 g/mol, XLogP of 2.25, 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-(3-methylphenyl)acetamide is sourced from PubChem (CID 23409030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).