2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide

C19H24N2O5S — CID 3511426

IUPAC2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C19H24N2O5S/c1-21(14-19(22)20-12-11-15-7-5-4-6-8-15)27(23,24)16-9-10-17(25-2)18(13-16)26-3/h4-10,13H,11-12,14H2,1-3H3,(H,20,22)
InChIKeyIWOLJGRHLWLYPP-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.68
Rot. Bonds9

About 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide

2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide (PubChem CID 3511426) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide
PubChem CID3511426
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C19H24N2O5S/c1-21(14-19(22)20-12-11-15-7-5-4-6-8-15)27(23,24)16-9-10-17(25-2)18(13-16)26-3/h4-10,13H,11-12,14H2,1-3H3,(H,20,22)
InChIKeyIWOLJGRHLWLYPP-UHFFFAOYSA-N
XLogP1.68
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-hydroxy-2-[(4-methoxybenzene)(2-phenylethyl)sulfonamido]acetamide
CID 10570770
N-hydroxy-2-[[4-methoxybenzenesulfonyl](benzyl)amino]acetamide
CID 10594000
N-hydroxy-2-[(4-methoxybenzene)(3-phenylpropyl)sulfonamido]acetamide
CID 10738429
N-hydroxy-2-[(4-methoxybenzene)(4-phenylbutyl)sulfonamido]acetamide
CID 10739270
2-[(2-cyclohexylethyl)(4-methoxybenzene)sulfonamido]-N-hydroxyacetamide
CID 10785400
(2S)-2-acetamido-N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-[(2S)-2-methylbutyl]amino]-1-phenylbutan-2-yl]propanamide
CID 25098466
(2S)-2-acetamido-N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]propanamide
CID 25208885
2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 890682
N~1~-cyclopropyl-N~2~-[(3,4-dimethoxyphenyl)sulfonyl]-N~2~-methylglycinamide
CID 969683
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-methoxyphenyl)sulfonyl]amino}acetamide
CID 1728984
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 4842947
N-[(4-Methylphenyl)methyl]-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide
CID 1359124

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide (CID 3511426) is 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2ccccc2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is IWOLJGRHLWLYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-21(14-19(22)20-12-11-15-7-5-4-6-8-15)27(23,24)16-9-10-17(25-2)18(13-16)26-3/h4-10,13H,11-12,14H2,1-3H3,(H,20,22).
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide?
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 392.48 g/mol, XLogP of 1.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3511426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).