N-[(2R)-2-ethylhexyl]-2-[methyl(methylsulfonyl)amino]benzamide

C17H28N2O3S — CID 94612530

IUPACN-[(2R)-2-ethylhexyl]-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCCCC[C@@H](CC)CNC(=O)c1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-5-7-10-14(6-2)13-18-17(20)15-11-8-9-12-16(15)19(3)23(4,21)22/h8-9,11-12,14H,5-7,10,13H2,1-4H3,(H,18,20)/t14-/m1/s1
InChIKeyQJXGABLKICDPOO-CQSZACIVSA-N
MW340.49 g/mol
LogP3.03
Rot. Bonds9

About N-[(2R)-2-ethylhexyl]-2-[methyl(methylsulfonyl)amino]benzamide

N-[(2R)-2-ethylhexyl]-2-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 94612530) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[(2R)-2-ethylhexyl]-2-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-ethylhexyl]-2-[methyl(methylsulfonyl)amino]benzamide
PubChem CID94612530
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-[(2R)-2-ethylhexyl]-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCCCC[C@@H](CC)CNC(=O)c1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-5-7-10-14(6-2)13-18-17(20)15-11-8-9-12-16(15)19(3)23(4,21)22/h8-9,11-12,14H,5-7,10,13H2,1-4H3,(H,18,20)/t14-/m1/s1
InChIKeyQJXGABLKICDPOO-CQSZACIVSA-N
XLogP3.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-(2-ethylhexyl)benzamide
CID 133185431
N-(2-ethylhexyl)-2-hydroxybenzamide
CID 66524068
2-bromo-N-[(2S)-2-ethylhexyl]benzamide
CID 2287218
N-(2-ethylhexyl)-2-(methylamino)benzamide
CID 61377678
N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 133229169
2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185222
2-amino-N-(2-ethylhexyl)-3-methylbenzamide
CID 103604526
2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 51335107
N-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 42941260
2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid
CID 63614926
1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide
CID 122598400
2-N,4-N-bis(2-ethylhexyl)-5-N-heptadecyl-1-N-octadecylbenzene-1,2,4,5-tetracarboxamide
CID 146329871

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-ethylhexyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[(2R)-2-ethylhexyl]-2-[methyl(methylsulfonyl)amino]benzamide (CID 94612530) is N-[(2R)-2-ethylhexyl]-2-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[(2R)-2-ethylhexyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[(2R)-2-ethylhexyl]-2-[methyl(methylsulfonyl)amino]benzamide is CCCC[C@@H](CC)CNC(=O)c1ccccc1N(C)S(C)(=O)=O.
What is the InChIKey of N-[(2R)-2-ethylhexyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is QJXGABLKICDPOO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-5-7-10-14(6-2)13-18-17(20)15-11-8-9-12-16(15)19(3)23(4,21)22/h8-9,11-12,14H,5-7,10,13H2,1-4H3,(H,18,20)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-ethylhexyl]-2-[methyl(methylsulfonyl)amino]benzamide?
N-[(2R)-2-ethylhexyl]-2-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 340.49 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-ethylhexyl]-2-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 94612530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).