N-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride

C20H36ClN3O3S — CID 119658419

IUPACN-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)CCC(N)C(C)C)cc1.Cl
InChIInChI=1S/C20H35N3O3S.ClH/c1-6-23(7-2)27(25,26)18-11-8-17(9-12-18)10-13-20(24)22(5)15-14-19(21)16(3)4;/h8-9,11-12,16,19H,6-7,10,13-15,21H2,1-5H3;1H
InChIKeyULBKSMIDIXUVSX-UHFFFAOYSA-N
MW434.05 g/mol
LogP2.90
Rot. Bonds11

About N-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride

N-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride (PubChem CID 119658419) has the molecular formula C20H36ClN3O3S and a molecular weight of 434.05 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride
PubChem CID119658419
Molecular FormulaC20H36ClN3O3S
Molecular Weight434.05 g/mol
Exact Mass433.22
IUPAC NameN-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)CCC(N)C(C)C)cc1.Cl
InChIInChI=1S/C20H35N3O3S.ClH/c1-6-23(7-2)27(25,26)18-11-8-17(9-12-18)10-13-20(24)22(5)15-14-19(21)16(3)4;/h8-9,11-12,16,19H,6-7,10,13-15,21H2,1-5H3;1H
InChIKeyULBKSMIDIXUVSX-UHFFFAOYSA-N
XLogP2.90
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.05
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119659796
N-(3-amino-4-methylpentyl)-N-methyl-3-pyridin-4-ylpropanamide
CID 81484685
N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119660115
ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride
CID 119992233
N-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 119658416
4-[3-[4-(diethylsulfamoyl)phenyl]propanoyl-methylamino]benzamide
CID 55903574
N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
CID 119658573
N-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride
CID 119660473
4-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N,N-diethylbenzamide
CID 119992307
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-amino-4-methylpentyl)-N-methylacetamide
CID 119660507
N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
CID 119657793
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride (CID 119658419) is N-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)CCC(N)C(C)C)cc1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride?
The InChIKey is ULBKSMIDIXUVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3S.ClH/c1-6-23(7-2)27(25,26)18-11-8-17(9-12-18)10-13-20(24)22(5)15-14-19(21)16(3)4;/h8-9,11-12,16,19H,6-7,10,13-15,21H2,1-5H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride?
N-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride has a molecular weight of 434.05 g/mol, XLogP of 2.90, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119658419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).