N-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide

C18H31N3O3S — CID 119668137

IUPACN-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide
SMILESCCCCC(CN)NC(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C18H31N3O3S/c1-5-8-9-16(13-19)20-18(22)15-11-10-14(4)17(12-15)25(23,24)21(6-2)7-3/h10-12,16H,5-9,13,19H2,1-4H3,(H,20,22)
InChIKeyBOIFFUCHIFIZOI-UHFFFAOYSA-N
MW369.53 g/mol
LogP2.27
Rot. Bonds10

About N-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide

N-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide (PubChem CID 119668137) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide
PubChem CID119668137
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC NameN-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide
SMILESCCCCC(CN)NC(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C18H31N3O3S/c1-5-8-9-16(13-19)20-18(22)15-11-10-14(4)17(12-15)25(23,24)21(6-2)7-3/h10-12,16H,5-9,13,19H2,1-4H3,(H,20,22)
InChIKeyBOIFFUCHIFIZOI-UHFFFAOYSA-N
XLogP2.27
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]hexanoic acid
CID 120614682
N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide
CID 113265964
N-(1-aminohexan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119664956
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119433491
N-[3-(aminomethyl)pentan-3-yl]-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119571500
N-(1-aminohexan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 80697948
N-(1-aminohexan-2-yl)-3,5-dimethylbenzamide
CID 80697654
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
N-(1-aminohexan-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 119668039
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide (CID 119668137) is N-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide is CCCCC(CN)NC(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide?
The InChIKey is BOIFFUCHIFIZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-5-8-9-16(13-19)20-18(22)15-11-10-14(4)17(12-15)25(23,24)21(6-2)7-3/h10-12,16H,5-9,13,19H2,1-4H3,(H,20,22).
What are the key properties of N-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide?
N-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide has a molecular weight of 369.53 g/mol, XLogP of 2.27, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide is sourced from PubChem (CID 119668137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).