N-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide

C14H22N2O3S — CID 43246820

IUPACN-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1c(C)cc(S(N)(=O)=O)cc1C
InChIInChI=1S/C14H22N2O3S/c1-5-11(6-2)14(17)16-13-9(3)7-12(8-10(13)4)20(15,18)19/h7-8,11H,5-6H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeySQRJCROXDUYKII-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.33
Rot. Bonds5

About N-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide

N-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide (PubChem CID 43246820) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide
PubChem CID43246820
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1c(C)cc(S(N)(=O)=O)cc1C
InChIInChI=1S/C14H22N2O3S/c1-5-11(6-2)14(17)16-13-9(3)7-12(8-10(13)4)20(15,18)19/h7-8,11H,5-6H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeySQRJCROXDUYKII-UHFFFAOYSA-N
XLogP2.33
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(2-ethyl-6-methyl-4-sulfamoylphenyl)butanamide
CID 43133984
2-ethyl-N-(2-methyl-4-sulfamoylphenyl)butanamide
CID 43246558
N-(2,6-dimethyl-4-sulfamoylphenyl)-2-propan-2-yloxyacetamide
CID 113355675
4-(2-ethylbutanoylamino)-3-methylbenzenesulfonic acid
CID 72947233
3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide
CID 62727374
N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2-cyclopropylpropanamide
CID 83154243
2-propyl-N-(2,4,6-trimethylphenyl)pentanamide
CID 11841490
N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 66256512
N-(2-ethyl-6-methyl-4-sulfamoylphenyl)cyclopropanecarboxamide
CID 43246565
N-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide
CID 43134141
2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide
CID 168944628
N-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide
CID 43246745

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide?
The IUPAC name of N-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide (CID 43246820) is N-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide.
What is the SMILES notation for N-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide?
The canonical SMILES for N-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1c(C)cc(S(N)(=O)=O)cc1C.
What is the InChIKey of N-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide?
The InChIKey is SQRJCROXDUYKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-11(6-2)14(17)16-13-9(3)7-12(8-10(13)4)20(15,18)19/h7-8,11H,5-6H2,1-4H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide?
N-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide has a molecular weight of 298.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide is sourced from PubChem (CID 43246820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).