N-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide

C20H25NO5S — CID 110298469

IUPACN-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)CCS(=O)(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H25NO5S/c1-14(2)26-16-6-8-17(9-7-16)27(23,24)12-11-20(22)21-18-13-15(3)5-10-19(18)25-4/h5-10,13-14H,11-12H2,1-4H3,(H,21,22)
InChIKeyFZQVLTCWEIAXSP-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.59
Rot. Bonds8

About N-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide

N-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide (PubChem CID 110298469) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
PubChem CID110298469
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC NameN-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)CCS(=O)(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H25NO5S/c1-14(2)26-16-6-8-17(9-7-16)27(23,24)12-11-20(22)21-18-13-15(3)5-10-19(18)25-4/h5-10,13-14H,11-12H2,1-4H3,(H,21,22)
InChIKeyFZQVLTCWEIAXSP-UHFFFAOYSA-N
XLogP3.59
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)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-(2,3-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298456
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide
CID 110417830
N-(2,5-diethoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4101955
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298461
2-(4-chlorophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 25392753
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875904
N-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 18586245
N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 8702322

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide (CID 110298469) is N-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide is COc1ccc(C)cc1NC(=O)CCS(=O)(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide?
The InChIKey is FZQVLTCWEIAXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-14(2)26-16-6-8-17(9-7-16)27(23,24)12-11-20(22)21-18-13-15(3)5-10-19(18)25-4/h5-10,13-14H,11-12H2,1-4H3,(H,21,22).
What are the key properties of N-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide?
N-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide has a molecular weight of 391.49 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 110298469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).