N-[(3,4-diethoxyphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide

C21H28N2O6S — CID 30243318

IUPACN-[(3,4-diethoxyphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc(CNC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1OCC
InChIInChI=1S/C21H28N2O6S/c1-5-28-19-12-11-16(13-20(19)29-6-2)14-22-21(24)15-23(30(4,25)26)17-9-7-8-10-18(17)27-3/h7-13H,5-6,14-15H2,1-4H3,(H,22,24)
InChIKeyNDNZBFCRGXUCAO-UHFFFAOYSA-N
MW436.53 g/mol
LogP2.58
Rot. Bonds11

About N-[(3,4-diethoxyphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide

N-[(3,4-diethoxyphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 30243318) has the molecular formula C21H28N2O6S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID30243318
Molecular FormulaC21H28N2O6S
Molecular Weight436.53 g/mol
Exact Mass436.17
IUPAC NameN-[(3,4-diethoxyphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc(CNC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1OCC
InChIInChI=1S/C21H28N2O6S/c1-5-28-19-12-11-16(13-20(19)29-6-2)14-22-21(24)15-23(30(4,25)26)17-9-7-8-10-18(17)27-3/h7-13H,5-6,14-15H2,1-4H3,(H,22,24)
InChIKeyNDNZBFCRGXUCAO-UHFFFAOYSA-N
XLogP2.58
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3,4-diethoxyphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)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-diethoxyphenyl)methyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 30218403
N-[(3,4-diethoxyphenyl)methyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43901024
2-(4-bromo-N-methylsulfonylanilino)-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 30219944
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30202889
2-(2-methoxy-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 46772898
N-[(3,4-diethoxyphenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30277070
N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1102401
N-[(3,4-diethoxyphenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894448
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]acetamide
CID 53279417
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 43908101
N-[(3-ethoxyphenyl)methyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288365
2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 2271078

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide (CID 30243318) is N-[(3,4-diethoxyphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide is CCOc1ccc(CNC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is NDNZBFCRGXUCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S/c1-5-28-19-12-11-16(13-20(19)29-6-2)14-22-21(24)15-23(30(4,25)26)17-9-7-8-10-18(17)27-3/h7-13H,5-6,14-15H2,1-4H3,(H,22,24).
What are the key properties of N-[(3,4-diethoxyphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
N-[(3,4-diethoxyphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 436.53 g/mol, XLogP of 2.58, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30243318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).