N-(3-amino-4-methylpentyl)-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride

C19H32ClN3O4S — CID 119658054

IUPACN-(3-amino-4-methylpentyl)-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.Cl
InChIInChI=1S/C19H31N3O4S.ClH/c1-14(2)18(20)10-11-22(3)19(23)15-6-8-17(9-7-15)27(24,25)21-13-16-5-4-12-26-16;/h6-9,14,16,18,21H,4-5,10-13,20H2,1-3H3;1H
InChIKeyVBUFIJSYMTUNID-UHFFFAOYSA-N
MW434.00 g/mol
LogP2.01
Rot. Bonds9

About N-(3-amino-4-methylpentyl)-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride (PubChem CID 119658054) has the molecular formula C19H32ClN3O4S and a molecular weight of 434.00 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
PubChem CID119658054
Molecular FormulaC19H32ClN3O4S
Molecular Weight434.00 g/mol
Exact Mass433.18
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.Cl
InChIInChI=1S/C19H31N3O4S.ClH/c1-14(2)18(20)10-11-22(3)19(23)15-6-8-17(9-7-15)27(24,25)21-13-16-5-4-12-26-16;/h6-9,14,16,18,21H,4-5,10-13,20H2,1-3H3;1H
InChIKeyVBUFIJSYMTUNID-UHFFFAOYSA-N
XLogP2.01
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.00
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylpentyl)-4-(cyclopropylsulfamoyl)-N-methylbenzamide;hydrochloride
CID 119659587
N-(3-amino-4-methylpentyl)-4-cyclopentylsulfonyl-N-methylbenzamide;hydrochloride
CID 119659238
(2S)-2-amino-3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119296363
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 43056423
N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 119660555
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119517490
N-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 120508941
4-N,4-N-dimethyl-1-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 25040936
3-oxobutan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42988391
N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride
CID 119658844

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride (CID 119658054) is N-(3-amino-4-methylpentyl)-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The InChIKey is VBUFIJSYMTUNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S.ClH/c1-14(2)18(20)10-11-22(3)19(23)15-6-8-17(9-7-15)27(24,25)21-13-16-5-4-12-26-16;/h6-9,14,16,18,21H,4-5,10-13,20H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride has a molecular weight of 434.00 g/mol, XLogP of 2.01, 9 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-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119658054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).