N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide

C18H30N2O3S — CID 133229169

IUPACN-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide
SMILESCCCCC(CC)CNC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1
InChIInChI=1S/C18H30N2O3S/c1-5-8-9-15(6-2)14-19-18(21)16-10-12-17(13-11-16)20(4)24(22,23)7-3/h10-13,15H,5-9,14H2,1-4H3,(H,19,21)
InChIKeyHXSPBRXAXPRKOL-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.42
Rot. Bonds10

About N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide

N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide (PubChem CID 133229169) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide
PubChem CID133229169
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC NameN-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide
SMILESCCCCC(CC)CNC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1
InChIInChI=1S/C18H30N2O3S/c1-5-8-9-15(6-2)14-19-18(21)16-10-12-17(13-11-16)20(4)24(22,23)7-3/h10-13,15H,5-9,14H2,1-4H3,(H,19,21)
InChIKeyHXSPBRXAXPRKOL-UHFFFAOYSA-N
XLogP3.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-N-(2-ethylhexyl)benzamide
CID 60520434
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide
CID 133185556
N-[(2S)-2-ethylhexyl]-4-iodobenzamide
CID 95356323
4-butyl-N-(2-ethylhexyl)benzamide
CID 91723782
4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide
CID 55334750
N-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 133163863
N-[(2S)-2-ethylhexyl]-4-octoxybenzamide
CID 125462791
4-[ethylsulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 27211679
N-[(2R)-2-ethylhexyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 94612530
N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide
CID 2915932
N-[(2R)-2-ethylhexyl]-3-methylsulfonylbenzamide
CID 36616680
(2S)-N-[(2S)-2-ethylhexyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 125064427

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide?
The IUPAC name of N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide (CID 133229169) is N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide.
What is the SMILES notation for N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide?
The canonical SMILES for N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide is CCCCC(CC)CNC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1.
What is the InChIKey of N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide?
The InChIKey is HXSPBRXAXPRKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-5-8-9-15(6-2)14-19-18(21)16-10-12-17(13-11-16)20(4)24(22,23)7-3/h10-13,15H,5-9,14H2,1-4H3,(H,19,21).
What are the key properties of N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide?
N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide has a molecular weight of 354.52 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide is sourced from PubChem (CID 133229169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).