2-(2-ethylbutylamino)-N-methyl-5-(methylsulfamoyl)benzamide

C15H25N3O3S — CID 177315663

IUPAC2-(2-ethylbutylamino)-N-methyl-5-(methylsulfamoyl)benzamide
SMILESCCC(CC)CNc1ccc(S(=O)(=O)NC)cc1C(=O)NC
InChIInChI=1S/C15H25N3O3S/c1-5-11(6-2)10-18-14-8-7-12(22(20,21)17-4)9-13(14)15(19)16-3/h7-9,11,17-18H,5-6,10H2,1-4H3,(H,16,19)
InChIKeySJBLJJQMRQOVDB-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.80
Rot. Bonds8

About 2-(2-ethylbutylamino)-N-methyl-5-(methylsulfamoyl)benzamide

2-(2-ethylbutylamino)-N-methyl-5-(methylsulfamoyl)benzamide (PubChem CID 177315663) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-(2-ethylbutylamino)-N-methyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-(2-ethylbutylamino)-N-methyl-5-(methylsulfamoyl)benzamide
PubChem CID177315663
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name2-(2-ethylbutylamino)-N-methyl-5-(methylsulfamoyl)benzamide
SMILESCCC(CC)CNc1ccc(S(=O)(=O)NC)cc1C(=O)NC
InChIInChI=1S/C15H25N3O3S/c1-5-11(6-2)10-18-14-8-7-12(22(20,21)17-4)9-13(14)15(19)16-3/h7-9,11,17-18H,5-6,10H2,1-4H3,(H,16,19)
InChIKeySJBLJJQMRQOVDB-UHFFFAOYSA-N
XLogP1.80
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1S)-3,3-difluorocyclopentyl]methylamino]-N-methyl-5-(methylsulfamoyl)benzamide
CID 177315591
2-(3-methylbutylamino)-5-(methylsulfamoyl)benzoic acid
CID 45319790
N-methyl-5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzamide
CID 177315638
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide
CID 42940283
4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide
CID 107819850
5-amino-2-(ethylamino)-N-methylbenzamide
CID 100637917
5-(butylsulfamoyl)-N,2-dimethylbenzamide
CID 6464049
2,4-dichloro-N-(2-ethylbutyl)aniline
CID 28521288
N-(2,4-dimethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297738
methyl 5-(methylsulfamoyl)-2-(4,4,4-trifluorobutylamino)benzoate
CID 177315533
2-(2-methylpropylamino)-5-(pentylsulfamoyl)benzoic acid
CID 99986187

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutylamino)-N-methyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of 2-(2-ethylbutylamino)-N-methyl-5-(methylsulfamoyl)benzamide (CID 177315663) is 2-(2-ethylbutylamino)-N-methyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 2-(2-ethylbutylamino)-N-methyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 2-(2-ethylbutylamino)-N-methyl-5-(methylsulfamoyl)benzamide is CCC(CC)CNc1ccc(S(=O)(=O)NC)cc1C(=O)NC.
What is the InChIKey of 2-(2-ethylbutylamino)-N-methyl-5-(methylsulfamoyl)benzamide?
The InChIKey is SJBLJJQMRQOVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-5-11(6-2)10-18-14-8-7-12(22(20,21)17-4)9-13(14)15(19)16-3/h7-9,11,17-18H,5-6,10H2,1-4H3,(H,16,19).
What are the key properties of 2-(2-ethylbutylamino)-N-methyl-5-(methylsulfamoyl)benzamide?
2-(2-ethylbutylamino)-N-methyl-5-(methylsulfamoyl)benzamide has a molecular weight of 327.45 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutylamino)-N-methyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 177315663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).