N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide

C17H29N3O4S — CID 119597522

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NC(C)(CN)CC(C)C)c1
InChIInChI=1S/C17H29N3O4S/c1-13(2)11-17(3,12-18)20-16(21)14-6-5-7-15(10-14)25(22,23)19-8-9-24-4/h5-7,10,13,19H,8-9,11-12,18H2,1-4H3,(H,20,21)
InChIKeyMKIKKOFWXHMZCW-UHFFFAOYSA-N
MW371.50 g/mol
LogP1.10
Rot. Bonds10

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 119597522) has the molecular formula C17H29N3O4S and a molecular weight of 371.50 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide
PubChem CID119597522
Molecular FormulaC17H29N3O4S
Molecular Weight371.50 g/mol
Exact Mass371.19
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NC(C)(CN)CC(C)C)c1
InChIInChI=1S/C17H29N3O4S/c1-13(2)11-17(3,12-18)20-16(21)14-6-5-7-15(10-14)25(22,23)19-8-9-24-4/h5-7,10,13,19H,8-9,11-12,18H2,1-4H3,(H,20,21)
InChIKeyMKIKKOFWXHMZCW-UHFFFAOYSA-N
XLogP1.10
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119599772
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119597463
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride
CID 119599708
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(methoxymethyl)benzamide;hydrochloride
CID 119600158
3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
CID 134019674
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxypropoxy)benzamide
CID 119598109
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324
3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide
CID 119984985
N-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119599089
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide (CID 119597522) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1cccc(C(=O)NC(C)(CN)CC(C)C)c1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is MKIKKOFWXHMZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4S/c1-13(2)11-17(3,12-18)20-16(21)14-6-5-7-15(10-14)25(22,23)19-8-9-24-4/h5-7,10,13,19H,8-9,11-12,18H2,1-4H3,(H,20,21).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 371.50 g/mol, XLogP of 1.10, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 119597522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).