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

C15H25N3O4S — CID 119984979

IUPAC5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(CN)CC(C)C)cc1C(N)=O
InChIInChI=1S/C15H25N3O4S/c1-10(2)8-15(3,9-16)18-23(20,21)11-5-6-13(22-4)12(7-11)14(17)19/h5-7,10,18H,8-9,16H2,1-4H3,(H2,17,19)
InChIKeyXVHZPVPUBGOMMM-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.84
Rot. Bonds8

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

5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methoxybenzamide (PubChem CID 119984979) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methoxybenzamide
PubChem CID119984979
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(CN)CC(C)C)cc1C(N)=O
InChIInChI=1S/C15H25N3O4S/c1-10(2)8-15(3,9-16)18-23(20,21)11-5-6-13(22-4)12(7-11)14(17)19/h5-7,10,18H,8-9,16H2,1-4H3,(H2,17,19)
InChIKeyXVHZPVPUBGOMMM-UHFFFAOYSA-N
XLogP0.84
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzamide
CID 119985275
5-(tert-butylsulfamoyl)-2-methoxybenzamide
CID 42562024
methyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzoate;hydrochloride
CID 119985415
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide
CID 115309909
3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide
CID 119984985
N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 120710993
5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methoxybenzamide
CID 65113342
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methoxy-5-nitrobenzenesulfonamide
CID 119985029
dimethyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzene-1,3-dicarboxylate;hydrochloride
CID 119985198
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65314128
N-(1-amino-2,4-dimethylpentan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 119985221
5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65192963

Frequently Asked Questions

What is the IUPAC name of 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methoxybenzamide?
The IUPAC name of 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methoxybenzamide (CID 119984979) is 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methoxybenzamide.
What is the SMILES notation for 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methoxybenzamide?
The canonical SMILES for 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methoxybenzamide is COc1ccc(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-methoxybenzamide?
The InChIKey is XVHZPVPUBGOMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-10(2)8-15(3,9-16)18-23(20,21)11-5-6-13(22-4)12(7-11)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-methoxybenzamide?
5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methoxybenzamide has a molecular weight of 343.45 g/mol, XLogP of 0.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methoxybenzamide is sourced from PubChem (CID 119984979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).