3-(4-methoxy-3-methylphenyl)-4-methyl-N-[2-(methylsulfamoyl)ethyl]pentanamide

C17H28N2O4S — CID 110310402

IUPAC3-(4-methoxy-3-methylphenyl)-4-methyl-N-[2-(methylsulfamoyl)ethyl]pentanamide
SMILESCNS(=O)(=O)CCNC(=O)CC(c1ccc(OC)c(C)c1)C(C)C
InChIInChI=1S/C17H28N2O4S/c1-12(2)15(14-6-7-16(23-5)13(3)10-14)11-17(20)19-8-9-24(21,22)18-4/h6-7,10,12,15,18H,8-9,11H2,1-5H3,(H,19,20)
InChIKeyUNDJURBCIFRSFK-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.80
Rot. Bonds9

About 3-(4-methoxy-3-methylphenyl)-4-methyl-N-[2-(methylsulfamoyl)ethyl]pentanamide

3-(4-methoxy-3-methylphenyl)-4-methyl-N-[2-(methylsulfamoyl)ethyl]pentanamide (PubChem CID 110310402) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-4-methyl-N-[2-(methylsulfamoyl)ethyl]pentanamide.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-4-methyl-N-[2-(methylsulfamoyl)ethyl]pentanamide
PubChem CID110310402
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name3-(4-methoxy-3-methylphenyl)-4-methyl-N-[2-(methylsulfamoyl)ethyl]pentanamide
SMILESCNS(=O)(=O)CCNC(=O)CC(c1ccc(OC)c(C)c1)C(C)C
InChIInChI=1S/C17H28N2O4S/c1-12(2)15(14-6-7-16(23-5)13(3)10-14)11-17(20)19-8-9-24(21,22)18-4/h6-7,10,12,15,18H,8-9,11H2,1-5H3,(H,19,20)
InChIKeyUNDJURBCIFRSFK-UHFFFAOYSA-N
XLogP1.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxy-3-methylphenyl)-4-methyl-N-[2-(methylsulfamoyl)ethyl]pentanamide 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

methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate
CID 112508803
N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide
CID 110355408
3-(4-bromophenyl)-4-methyl-N-(2-methylsulfonylethyl)pentanamide
CID 110355279
3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide
CID 116848729
4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene
CID 61097588
2-(4-methoxy-3-methylphenyl)-N'-methylpropanehydrazide
CID 116846983
methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate
CID 62132611
3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 110301496
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-phenylbutanamide
CID 110607851
N-[2-methoxy-5-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]propanamide
CID 118760768
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 110425232
1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol
CID 82313799

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-4-methyl-N-[2-(methylsulfamoyl)ethyl]pentanamide?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-4-methyl-N-[2-(methylsulfamoyl)ethyl]pentanamide (CID 110310402) is 3-(4-methoxy-3-methylphenyl)-4-methyl-N-[2-(methylsulfamoyl)ethyl]pentanamide.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-4-methyl-N-[2-(methylsulfamoyl)ethyl]pentanamide?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-4-methyl-N-[2-(methylsulfamoyl)ethyl]pentanamide is CNS(=O)(=O)CCNC(=O)CC(c1ccc(OC)c(C)c1)C(C)C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-4-methyl-N-[2-(methylsulfamoyl)ethyl]pentanamide?
The InChIKey is UNDJURBCIFRSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-12(2)15(14-6-7-16(23-5)13(3)10-14)11-17(20)19-8-9-24(21,22)18-4/h6-7,10,12,15,18H,8-9,11H2,1-5H3,(H,19,20).
What are the key properties of 3-(4-methoxy-3-methylphenyl)-4-methyl-N-[2-(methylsulfamoyl)ethyl]pentanamide?
3-(4-methoxy-3-methylphenyl)-4-methyl-N-[2-(methylsulfamoyl)ethyl]pentanamide has a molecular weight of 356.49 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-4-methyl-N-[2-(methylsulfamoyl)ethyl]pentanamide is sourced from PubChem (CID 110310402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).