N-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride

C13H24ClN3O4S — CID 119661236

IUPACN-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(C(=O)N(C)CCC(N)C(C)C)o1.Cl
InChIInChI=1S/C13H23N3O4S.ClH/c1-9(2)10(14)7-8-16(4)13(17)11-5-6-12(20-11)21(18,19)15-3;/h5-6,9-10,15H,7-8,14H2,1-4H3;1H
InChIKeyACXDKNOOUKJQLV-UHFFFAOYSA-N
MW353.87 g/mol
LogP1.05
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride (PubChem CID 119661236) has the molecular formula C13H24ClN3O4S and a molecular weight of 353.87 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride
PubChem CID119661236
Molecular FormulaC13H24ClN3O4S
Molecular Weight353.87 g/mol
Exact Mass353.12
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(C(=O)N(C)CCC(N)C(C)C)o1.Cl
InChIInChI=1S/C13H23N3O4S.ClH/c1-9(2)10(14)7-8-16(4)13(17)11-5-6-12(20-11)21(18,19)15-3;/h5-6,9-10,15H,7-8,14H2,1-4H3;1H
InChIKeyACXDKNOOUKJQLV-UHFFFAOYSA-N
XLogP1.05
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide
CID 119660341
N-(3-amino-4-methylpentyl)-N-methyl-5-methylsulfanylfuran-2-carboxamide;hydrochloride
CID 119658758
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride
CID 119656968
N-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride
CID 119658346
N-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide
CID 119658454
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
N-[2-(dimethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 110476323
2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid
CID 119954468
N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400
N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide
CID 119659415
N-(3-amino-4-methylpentyl)-4-(cyclopropylsulfamoyl)-N-methylbenzamide;hydrochloride
CID 119659587
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 119527259

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride (CID 119661236) is N-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride is CNS(=O)(=O)c1ccc(C(=O)N(C)CCC(N)C(C)C)o1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride?
The InChIKey is ACXDKNOOUKJQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S.ClH/c1-9(2)10(14)7-8-16(4)13(17)11-5-6-12(20-11)21(18,19)15-3;/h5-6,9-10,15H,7-8,14H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride has a molecular weight of 353.87 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119661236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).