N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide

C19H24N2O3S — CID 51336180

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O3S/c1-13-10-11-14(2)17(12-13)15(3)20-19(22)16-8-6-7-9-18(16)21(4)25(5,23)24/h6-12,15H,1-5H3,(H,20,22)
InChIKeyQVCIVZATSIPFFJ-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.19
Rot. Bonds5

About N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide

N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 51336180) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
PubChem CID51336180
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O3S/c1-13-10-11-14(2)17(12-13)15(3)20-19(22)16-8-6-7-9-18(16)21(4)25(5,23)24/h6-12,15H,1-5H3,(H,20,22)
InChIKeyQVCIVZATSIPFFJ-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 92673178
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 99645643
2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 51335107
N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide
CID 18144899
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 28635604
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 94612968
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 30219526
N-[1-(2,5-dimethylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 17495468
2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43910382
N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide
CID 48982884
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 18153166

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide (CID 51336180) is N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide is Cc1ccc(C)c(C(C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is QVCIVZATSIPFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13-10-11-14(2)17(12-13)15(3)20-19(22)16-8-6-7-9-18(16)21(4)25(5,23)24/h6-12,15H,1-5H3,(H,20,22).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 51336180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).