N-(3,4-dimethoxyphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide

C19H24N2O5S — CID 2238736

IUPACN-(3,4-dimethoxyphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H24N2O5S/c1-5-21(27(23,24)16-9-6-14(2)7-10-16)13-19(22)20-15-8-11-17(25-3)18(12-15)26-4/h6-12H,5,13H2,1-4H3,(H,20,22)
InChIKeyOLMNDABJDQSAJG-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.66
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide

N-(3,4-dimethoxyphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 2238736) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID2238736
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H24N2O5S/c1-5-21(27(23,24)16-9-6-14(2)7-10-16)13-19(22)20-15-8-11-17(25-3)18(12-15)26-4/h6-12H,5,13H2,1-4H3,(H,20,22)
InChIKeyOLMNDABJDQSAJG-UHFFFAOYSA-N
XLogP2.66
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide (CID 2238736) is N-(3,4-dimethoxyphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide is CCN(CC(=O)Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is OLMNDABJDQSAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-5-21(27(23,24)16-9-6-14(2)7-10-16)13-19(22)20-15-8-11-17(25-3)18(12-15)26-4/h6-12H,5,13H2,1-4H3,(H,20,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide?
N-(3,4-dimethoxyphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 392.48 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 2238736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).