N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride

C13H22ClN3O3S — CID 119982559

IUPACN-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)CN)cc1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-4-13(17)15-11-5-7-12(8-6-11)20(18,19)16(3)10(2)9-14;/h5-8,10H,4,9,14H2,1-3H3,(H,15,17);1H
InChIKeyKFEOYDOGIRHJME-UHFFFAOYSA-N
MW335.86 g/mol
LogP1.42
Rot. Bonds6

About N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride

N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride (PubChem CID 119982559) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride
PubChem CID119982559
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC NameN-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)CN)cc1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-4-13(17)15-11-5-7-12(8-6-11)20(18,19)16(3)10(2)9-14;/h5-8,10H,4,9,14H2,1-3H3,(H,15,17);1H
InChIKeyKFEOYDOGIRHJME-UHFFFAOYSA-N
XLogP1.42
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(2-methoxyphenyl)ethyl-methylsulfamoyl]phenyl]propanamide
CID 49239841
methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate
CID 119982539
3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide
CID 81070137
N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride
CID 120710620
N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride
CID 119982419
2-(4-methylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 9224098
N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide
CID 119983014
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(2S)-1-aminopropan-2-yl]acetamide
CID 120505509
N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 119982843
2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide
CID 24616722
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
4-N-(1-aminopropan-2-yl)-1-N-cyclopropyl-4-N-methylbenzene-1,4-disulfonamide
CID 119982801

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride?
The IUPAC name of N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride (CID 119982559) is N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride?
The canonical SMILES for N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride is CCC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)CN)cc1.Cl.
What is the InChIKey of N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride?
The InChIKey is KFEOYDOGIRHJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S.ClH/c1-4-13(17)15-11-5-7-12(8-6-11)20(18,19)16(3)10(2)9-14;/h5-8,10H,4,9,14H2,1-3H3,(H,15,17);1H.
What are the key properties of N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride?
N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119982559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).