N-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide

C14H23N3O3S — CID 106165353

IUPACN-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide
SMILESCCC(C)(CCN)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H23N3O3S/c1-4-14(3,9-10-15)17-21(19,20)13-7-5-12(6-8-13)16-11(2)18/h5-8,17H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeyOXVSVIVFRLWMGM-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.44
Rot. Bonds7

About N-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide

N-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 106165353) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID106165353
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide
SMILESCCC(C)(CCN)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H23N3O3S/c1-4-14(3,9-10-15)17-21(19,20)13-7-5-12(6-8-13)16-11(2)18/h5-8,17H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeyOXVSVIVFRLWMGM-UHFFFAOYSA-N
XLogP1.44
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1-amino-2-cyclopropylpropan-2-yl)sulfamoyl]phenyl]acetamide
CID 115307942
N-[4-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]phenyl]acetamide
CID 61120241
4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106330291
3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine
CID 106165647
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N-(1-amino-3-methylpentan-3-yl)pyridine-3-sulfonamide
CID 114152612
N-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide
CID 64557240
N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
CID 120583378
N-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide
CID 106165234
N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 106169794
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 61133016

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide (CID 106165353) is N-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide is CCC(C)(CCN)NS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is OXVSVIVFRLWMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-14(3,9-10-15)17-21(19,20)13-7-5-12(6-8-13)16-11(2)18/h5-8,17H,4,9-10,15H2,1-3H3,(H,16,18).
What are the key properties of N-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 313.42 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 106165353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).