N-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide

C19H24N2O4S — CID 94617104

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1cc(C)cc(OCCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C19H24N2O4S/c1-13-9-14(2)11-17(10-13)25-8-7-20-19(22)16-6-5-15(3)18(12-16)21-26(4,23)24/h5-6,9-12,21H,7-8H2,1-4H3,(H,20,22)
InChIKeyCVFGHAIDPHDBSP-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.79
Rot. Bonds7

About N-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide

N-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 94617104) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID94617104
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1cc(C)cc(OCCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C19H24N2O4S/c1-13-9-14(2)11-17(10-13)25-8-7-20-19(22)16-6-5-15(3)18(12-16)21-26(4,23)24/h5-6,9-12,21H,7-8H2,1-4H3,(H,20,22)
InChIKeyCVFGHAIDPHDBSP-UHFFFAOYSA-N
XLogP2.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide 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

3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide
CID 51078705
N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide
CID 95161709
3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770016
N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41465561
N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
CID 41467295
3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide
CID 41448762
3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide
CID 55571429
N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide
CID 37360957
N-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 48599378
4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27021904
N-[3-(3-chlorophenoxy)propyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 55956047
3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392350

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide (CID 94617104) is N-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide is Cc1cc(C)cc(OCCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is CVFGHAIDPHDBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-13-9-14(2)11-17(10-13)25-8-7-20-19(22)16-6-5-15(3)18(12-16)21-26(4,23)24/h5-6,9-12,21H,7-8H2,1-4H3,(H,20,22).
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 376.48 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 94617104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).