N-(3,4-diethoxyphenyl)-2-[3,4-dihydronaphthalen-2-ylsulfonyl(methyl)amino]acetamide

C23H28N2O5S — CID 46807825

IUPACN-(3,4-diethoxyphenyl)-2-[3,4-dihydronaphthalen-2-ylsulfonyl(methyl)amino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)S(=O)(=O)C2=Cc3ccccc3CC2)cc1OCC
InChIInChI=1S/C23H28N2O5S/c1-4-29-21-13-11-19(15-22(21)30-5-2)24-23(26)16-25(3)31(27,28)20-12-10-17-8-6-7-9-18(17)14-20/h6-9,11,13-15H,4-5,10,12,16H2,1-3H3,(H,24,26)
InChIKeyOHEYRMOIJBYNME-UHFFFAOYSA-N
MW444.55 g/mol
LogP3.67
Rot. Bonds9

About N-(3,4-diethoxyphenyl)-2-[3,4-dihydronaphthalen-2-ylsulfonyl(methyl)amino]acetamide

N-(3,4-diethoxyphenyl)-2-[3,4-dihydronaphthalen-2-ylsulfonyl(methyl)amino]acetamide (PubChem CID 46807825) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-[3,4-dihydronaphthalen-2-ylsulfonyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-[3,4-dihydronaphthalen-2-ylsulfonyl(methyl)amino]acetamide
PubChem CID46807825
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC NameN-(3,4-diethoxyphenyl)-2-[3,4-dihydronaphthalen-2-ylsulfonyl(methyl)amino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)S(=O)(=O)C2=Cc3ccccc3CC2)cc1OCC
InChIInChI=1S/C23H28N2O5S/c1-4-29-21-13-11-19(15-22(21)30-5-2)24-23(26)16-25(3)31(27,28)20-12-10-17-8-6-7-9-18(17)14-20/h6-9,11,13-15H,4-5,10,12,16H2,1-3H3,(H,24,26)
InChIKeyOHEYRMOIJBYNME-UHFFFAOYSA-N
XLogP3.67
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-diethoxyphenyl)-2-[3,4-dihydronaphthalen-2-ylsulfonyl(methyl)amino]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)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4820945
N-(3,4-diethoxyphenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetamide
CID 29375272
N-(3,4-diethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide
CID 46534955
N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658514
N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 7910523
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 27122687
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2993335
N-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 46801791
N-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712469
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide
CID 43007494
N-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658528
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 2112863

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-[3,4-dihydronaphthalen-2-ylsulfonyl(methyl)amino]acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-[3,4-dihydronaphthalen-2-ylsulfonyl(methyl)amino]acetamide (CID 46807825) is N-(3,4-diethoxyphenyl)-2-[3,4-dihydronaphthalen-2-ylsulfonyl(methyl)amino]acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-[3,4-dihydronaphthalen-2-ylsulfonyl(methyl)amino]acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-[3,4-dihydronaphthalen-2-ylsulfonyl(methyl)amino]acetamide is CCOc1ccc(NC(=O)CN(C)S(=O)(=O)C2=Cc3ccccc3CC2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-[3,4-dihydronaphthalen-2-ylsulfonyl(methyl)amino]acetamide?
The InChIKey is OHEYRMOIJBYNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S/c1-4-29-21-13-11-19(15-22(21)30-5-2)24-23(26)16-25(3)31(27,28)20-12-10-17-8-6-7-9-18(17)14-20/h6-9,11,13-15H,4-5,10,12,16H2,1-3H3,(H,24,26).
What are the key properties of N-(3,4-diethoxyphenyl)-2-[3,4-dihydronaphthalen-2-ylsulfonyl(methyl)amino]acetamide?
N-(3,4-diethoxyphenyl)-2-[3,4-dihydronaphthalen-2-ylsulfonyl(methyl)amino]acetamide has a molecular weight of 444.55 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-[3,4-dihydronaphthalen-2-ylsulfonyl(methyl)amino]acetamide is sourced from PubChem (CID 46807825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).