N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide

C14H22N2O3S — CID 35710044

IUPACN-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCCCNC(=O)c1cc(S(=O)(=O)NCC)ccc1C
InChIInChI=1S/C14H22N2O3S/c1-4-6-9-15-14(17)13-10-12(8-7-11(13)3)20(18,19)16-5-2/h7-8,10,16H,4-6,9H2,1-3H3,(H,15,17)
InChIKeyUJLPARXYCJRYAA-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.82
Rot. Bonds7

About N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide

N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide (PubChem CID 35710044) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
PubChem CID35710044
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCCCNC(=O)c1cc(S(=O)(=O)NCC)ccc1C
InChIInChI=1S/C14H22N2O3S/c1-4-6-9-15-14(17)13-10-12(8-7-11(13)3)20(18,19)16-5-2/h7-8,10,16H,4-6,9H2,1-3H3,(H,15,17)
InChIKeyUJLPARXYCJRYAA-UHFFFAOYSA-N
XLogP1.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
5-(butylsulfamoyl)-N,2-dimethylbenzamide
CID 6464049
N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55659290
N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119640149
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783242
N-[2-(1-adamantyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 46448735
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 43002878
5-(azepan-1-ylsulfonyl)-N-butyl-2-methylbenzamide
CID 53281850
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 87043542

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide (CID 35710044) is N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide is CCCCNC(=O)c1cc(S(=O)(=O)NCC)ccc1C.
What is the InChIKey of N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide?
The InChIKey is UJLPARXYCJRYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-6-9-15-14(17)13-10-12(8-7-11(13)3)20(18,19)16-5-2/h7-8,10,16H,4-6,9H2,1-3H3,(H,15,17).
What are the key properties of N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide?
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide has a molecular weight of 298.41 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 35710044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).