N-(2,5-diethoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide

C20H25NO5S — CID 4101955

IUPACN-(2,5-diethoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCCOc1ccc(OCC)c(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C20H25NO5S/c1-4-25-16-8-11-19(26-5-2)18(14-16)21-20(22)12-13-27(23,24)17-9-6-15(3)7-10-17/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,22)
InChIKeyDIPGCWHVDRCTRN-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.59
Rot. Bonds9

About N-(2,5-diethoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide

N-(2,5-diethoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 4101955) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID4101955
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC NameN-(2,5-diethoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCCOc1ccc(OCC)c(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C20H25NO5S/c1-4-25-16-8-11-19(26-5-2)18(14-16)21-20(22)12-13-27(23,24)17-9-6-15(3)7-10-17/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,22)
InChIKeyDIPGCWHVDRCTRN-UHFFFAOYSA-N
XLogP3.59
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-diethoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide 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-(2,5-diethoxyphenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide
CID 20927594
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 26413933
4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656
N-(2,5-diethoxyphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 31526543
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 3484295
N-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298469
N-(2,5-diethoxyphenyl)-5-hydroxypentanamide
CID 79198989
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethoxyphenyl)propanamide
CID 110422136
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 43975965
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
N-(2,5-diethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 60703669
N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide
CID 33002086

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide (CID 4101955) is N-(2,5-diethoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide is CCOc1ccc(OCC)c(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is DIPGCWHVDRCTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-4-25-16-8-11-19(26-5-2)18(14-16)21-20(22)12-13-27(23,24)17-9-6-15(3)7-10-17/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,22).
What are the key properties of N-(2,5-diethoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(2,5-diethoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 391.49 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 4101955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).