N-(3,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

C18H22N2O5S — CID 2202680

IUPACN-(3,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCOc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1
InChIInChI=1S/C18H22N2O5S/c1-13-5-7-17(8-6-13)26(22,23)20(2)12-18(21)19-14-9-15(24-3)11-16(10-14)25-4/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyYUBWCSIZRFPAHI-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.27
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

N-(3,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 2202680) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID2202680
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCOc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1
InChIInChI=1S/C18H22N2O5S/c1-13-5-7-17(8-6-13)26(22,23)20(2)12-18(21)19-14-9-15(24-3)11-16(10-14)25-4/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyYUBWCSIZRFPAHI-UHFFFAOYSA-N
XLogP2.27
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 2202680) is N-(3,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is COc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is YUBWCSIZRFPAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-13-5-7-17(8-6-13)26(22,23)20(2)12-18(21)19-14-9-15(24-3)11-16(10-14)25-4/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-(3,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 378.45 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 2202680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).