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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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).