2-amino-N-[2-(benzylsulfamoyl)ethyl]-2-methylpentanamide

C15H25N3O3S — CID 119723704

IUPAC2-amino-N-[2-(benzylsulfamoyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C15H25N3O3S/c1-3-9-15(2,16)14(19)17-10-11-22(20,21)18-12-13-7-5-4-6-8-13/h4-8,18H,3,9-12,16H2,1-2H3,(H,17,19)
InChIKeyREARIIQTNPBSDI-UHFFFAOYSA-N
MW327.45 g/mol
LogP0.74
Rot. Bonds9

About 2-amino-N-[2-(benzylsulfamoyl)ethyl]-2-methylpentanamide

2-amino-N-[2-(benzylsulfamoyl)ethyl]-2-methylpentanamide (PubChem CID 119723704) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-amino-N-[2-(benzylsulfamoyl)ethyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(benzylsulfamoyl)ethyl]-2-methylpentanamide
PubChem CID119723704
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name2-amino-N-[2-(benzylsulfamoyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C15H25N3O3S/c1-3-9-15(2,16)14(19)17-10-11-22(20,21)18-12-13-7-5-4-6-8-13/h4-8,18H,3,9-12,16H2,1-2H3,(H,17,19)
InChIKeyREARIIQTNPBSDI-UHFFFAOYSA-N
XLogP0.74
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-N-(3-phenylpropyl)pentanamide;hydrochloride
CID 119674817
(2S)-2-amino-N-[2-(benzylsulfamoyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119723677
2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-methylpentanamide
CID 119782577
2-amino-N-[2-(benzylsulfamoyl)ethyl]acetamide
CID 119289553
N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
CID 119702770
1-[2-(benzylsulfamoyl)ethyl]-2-butylguanidine
CID 111062363
2-amino-N-(2,3-diphenylpropyl)-2-methylpentanamide
CID 119803980
1-[2-(benzylsulfamoyl)ethyl]-2-butylguanidine;hydroiodide
CID 111062362
2-amino-N-(3-anilino-3-oxopropyl)-2-methylpentanamide
CID 119785826
2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride
CID 119750998
2-amino-2-methyl-N-[[3-(methylsulfonylmethyl)phenyl]methyl]pentanamide
CID 119757053
1-[2-(benzylsulfamoyl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111062435

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(benzylsulfamoyl)ethyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[2-(benzylsulfamoyl)ethyl]-2-methylpentanamide (CID 119723704) is 2-amino-N-[2-(benzylsulfamoyl)ethyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-(benzylsulfamoyl)ethyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-(benzylsulfamoyl)ethyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NCCS(=O)(=O)NCc1ccccc1.
What is the InChIKey of 2-amino-N-[2-(benzylsulfamoyl)ethyl]-2-methylpentanamide?
The InChIKey is REARIIQTNPBSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-3-9-15(2,16)14(19)17-10-11-22(20,21)18-12-13-7-5-4-6-8-13/h4-8,18H,3,9-12,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-N-[2-(benzylsulfamoyl)ethyl]-2-methylpentanamide?
2-amino-N-[2-(benzylsulfamoyl)ethyl]-2-methylpentanamide has a molecular weight of 327.45 g/mol, XLogP of 0.74, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(benzylsulfamoyl)ethyl]-2-methylpentanamide is sourced from PubChem (CID 119723704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).