N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride

C14H24ClN3O3S — CID 119983132

IUPACN-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(CN)CC(C)C)cc1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-10(2)8-13(9-15)17-21(19,20)14-6-4-12(5-7-14)16-11(3)18;/h4-7,10,13,17H,8-9,15H2,1-3H3,(H,16,18);1H
InChIKeyNLNGVVRZSMBPFW-UHFFFAOYSA-N
MW349.88 g/mol
LogP1.72
Rot. Bonds7

About N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride

N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride (PubChem CID 119983132) has the molecular formula C14H24ClN3O3S and a molecular weight of 349.88 g/mol. Its IUPAC name is N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride
PubChem CID119983132
Molecular FormulaC14H24ClN3O3S
Molecular Weight349.88 g/mol
Exact Mass349.12
IUPAC NameN-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(CN)CC(C)C)cc1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-10(2)8-13(9-15)17-21(19,20)14-6-4-12(5-7-14)16-11(3)18;/h4-7,10,13,17H,8-9,15H2,1-3H3,(H,16,18);1H
InChIKeyNLNGVVRZSMBPFW-UHFFFAOYSA-N
XLogP1.72
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1-bromo-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide
CID 114297256
N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide
CID 63887954
4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 63761398
N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
CID 119983408
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide
CID 2286865
N-[4-[(2-bromo-4-methylpentyl)sulfamoyl]phenyl]acetamide
CID 107158226
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 119983139
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119983110
N-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 730422

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride (CID 119983132) is N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(S(=O)(=O)NC(CN)CC(C)C)cc1.Cl.
What is the InChIKey of N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride?
The InChIKey is NLNGVVRZSMBPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S.ClH/c1-10(2)8-13(9-15)17-21(19,20)14-6-4-12(5-7-14)16-11(3)18;/h4-7,10,13,17H,8-9,15H2,1-3H3,(H,16,18);1H.
What are the key properties of N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride?
N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride has a molecular weight of 349.88 g/mol, XLogP of 1.72, 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-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119983132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).