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

C22H30N2O5S — CID 30218403

IUPACN-[(3,4-diethoxyphenyl)methyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc(CNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1OCC
InChIInChI=1S/C22H30N2O5S/c1-6-28-20-11-9-18(13-21(20)29-7-2)14-23-22(25)15-24(30(5,26)27)19-10-8-16(3)12-17(19)4/h8-13H,6-7,14-15H2,1-5H3,(H,23,25)
InChIKeyDRSCNIZQSXAYAF-UHFFFAOYSA-N
MW434.56 g/mol
LogP3.18
Rot. Bonds10

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

N-[(3,4-diethoxyphenyl)methyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 30218403) has the molecular formula C22H30N2O5S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID30218403
Molecular FormulaC22H30N2O5S
Molecular Weight434.56 g/mol
Exact Mass434.19
IUPAC NameN-[(3,4-diethoxyphenyl)methyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc(CNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1OCC
InChIInChI=1S/C22H30N2O5S/c1-6-28-20-11-9-18(13-21(20)29-7-2)14-23-22(25)15-24(30(5,26)27)19-10-8-16(3)12-17(19)4/h8-13H,6-7,14-15H2,1-5H3,(H,23,25)
InChIKeyDRSCNIZQSXAYAF-UHFFFAOYSA-N
XLogP3.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-diethoxyphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 30243318
2-(4-bromo-N-methylsulfonylanilino)-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 30219944
N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30212684
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51342573
N-[(3,4-diethoxyphenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894448
N-[(4-methylphenyl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30263870
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30218577
N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 998401
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 46770349
N-[(3,4-diethoxyphenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30277070
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide
CID 1335965
N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43891593

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide (CID 30218403) is N-[(3,4-diethoxyphenyl)methyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide is CCOc1ccc(CNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is DRSCNIZQSXAYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5S/c1-6-28-20-11-9-18(13-21(20)29-7-2)14-23-22(25)15-24(30(5,26)27)19-10-8-16(3)12-17(19)4/h8-13H,6-7,14-15H2,1-5H3,(H,23,25).
What are the key properties of N-[(3,4-diethoxyphenyl)methyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
N-[(3,4-diethoxyphenyl)methyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 434.56 g/mol, XLogP of 3.18, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)methyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30218403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).