N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide

C21H29N3O6S — CID 55565700

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide
SMILESCCOc1ccc(NCC(=O)NCc2ccc(OC)c(OC)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H29N3O6S/c1-6-30-18-10-8-16(12-20(18)31(26,27)24(2)3)22-14-21(25)23-13-15-7-9-17(28-4)19(11-15)29-5/h7-12,22H,6,13-14H2,1-5H3,(H,23,25)
InChIKeyACHMBFGFYSXHKG-UHFFFAOYSA-N
MW451.55 g/mol
LogP2.08
Rot. Bonds11

About N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide (PubChem CID 55565700) has the molecular formula C21H29N3O6S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide
PubChem CID55565700
Molecular FormulaC21H29N3O6S
Molecular Weight451.55 g/mol
Exact Mass451.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide
SMILESCCOc1ccc(NCC(=O)NCc2ccc(OC)c(OC)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H29N3O6S/c1-6-30-18-10-8-16(12-20(18)31(26,27)24(2)3)22-14-21(25)23-13-15-7-9-17(28-4)19(11-15)29-5/h7-12,22H,6,13-14H2,1-5H3,(H,23,25)
InChIKeyACHMBFGFYSXHKG-UHFFFAOYSA-N
XLogP2.08
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 55565313
2-[4-(diethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 109003192
4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide
CID 31743702
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 26417644
2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 109003188
5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 55566308
2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide
CID 37218709
3-(1,3-benzodioxol-5-ylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028209
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109003193
2-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 55565900
N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride
CID 119858622

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide (CID 55565700) is N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide is CCOc1ccc(NCC(=O)NCc2ccc(OC)c(OC)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide?
The InChIKey is ACHMBFGFYSXHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O6S/c1-6-30-18-10-8-16(12-20(18)31(26,27)24(2)3)22-14-21(25)23-13-15-7-9-17(28-4)19(11-15)29-5/h7-12,22H,6,13-14H2,1-5H3,(H,23,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide has a molecular weight of 451.55 g/mol, XLogP of 2.08, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide is sourced from PubChem (CID 55565700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).