5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzamide

C15H25N3O3S — CID 119985275

IUPAC5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(CN)CC(C)C)cc1C(N)=O
InChIInChI=1S/C15H25N3O3S/c1-10(2)8-15(4,9-16)18-22(20,21)12-6-5-11(3)13(7-12)14(17)19/h5-7,10,18H,8-9,16H2,1-4H3,(H2,17,19)
InChIKeyRLQQPJHLENLQLW-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.14
Rot. Bonds7

About 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzamide

5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzamide (PubChem CID 119985275) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzamide
PubChem CID119985275
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(CN)CC(C)C)cc1C(N)=O
InChIInChI=1S/C15H25N3O3S/c1-10(2)8-15(4,9-16)18-22(20,21)12-6-5-11(3)13(7-12)14(17)19/h5-7,10,18H,8-9,16H2,1-4H3,(H2,17,19)
InChIKeyRLQQPJHLENLQLW-UHFFFAOYSA-N
XLogP1.14
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzoate;hydrochloride
CID 119985415
5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methoxybenzamide
CID 119984979
3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide
CID 119984985
5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-2-methylbenzamide
CID 63888193
3-N-(1-amino-2,4-dimethylpentan-2-yl)benzene-1,3-disulfonamide;hydrochloride
CID 119985204
N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride
CID 84591010
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide
CID 115309909
N-(1-amino-2,4-dimethylpentan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 119985221
N-(1-amino-2,4-dimethylpentan-2-yl)-4-nitrobenzenesulfonamide
CID 86814096
dimethyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzene-1,3-dicarboxylate;hydrochloride
CID 119985198
3-[(3-carbamoyl-4-methylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 62675880
5-[(carbamothioylamino)sulfamoyl]-2-methylbenzamide
CID 65214372

Frequently Asked Questions

What is the IUPAC name of 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzamide (CID 119985275) is 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NC(C)(CN)CC(C)C)cc1C(N)=O.
What is the InChIKey of 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzamide?
The InChIKey is RLQQPJHLENLQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-10(2)8-15(4,9-16)18-22(20,21)12-6-5-11(3)13(7-12)14(17)19/h5-7,10,18H,8-9,16H2,1-4H3,(H2,17,19).
What are the key properties of 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzamide?
5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzamide has a molecular weight of 327.45 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 119985275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).