N-(1-aminohexan-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide

C20H27N3O3S — CID 119668039

IUPACN-(1-aminohexan-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCCCCC(CN)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C20H27N3O3S/c1-3-4-10-17(15-21)22-20(24)16-9-8-13-19(14-16)27(25,26)23(2)18-11-6-5-7-12-18/h5-9,11-14,17H,3-4,10,15,21H2,1-2H3,(H,22,24)
InChIKeyTVWPCNYAODVDEQ-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.76
Rot. Bonds9

About N-(1-aminohexan-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide

N-(1-aminohexan-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 119668039) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID119668039
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-(1-aminohexan-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCCCCC(CN)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C20H27N3O3S/c1-3-4-10-17(15-21)22-20(24)16-9-8-13-19(14-16)27(25,26)23(2)18-11-6-5-7-12-18/h5-9,11-14,17H,3-4,10,15,21H2,1-2H3,(H,22,24)
InChIKeyTVWPCNYAODVDEQ-UHFFFAOYSA-N
XLogP2.76
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(phenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 18532497
3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide
CID 132654285
3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 92853144
3-[methyl(phenyl)sulfamoyl]-N-[2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 4230999
N-(1-aminohexan-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide;hydrochloride
CID 119666444
3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119668834
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644
N-(1-aminohexan-2-yl)-3-nitrobenzamide
CID 80698081
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577548
N-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119668137

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide (CID 119668039) is N-(1-aminohexan-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide is CCCCC(CN)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is TVWPCNYAODVDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-3-4-10-17(15-21)22-20(24)16-9-8-13-19(14-16)27(25,26)23(2)18-11-6-5-7-12-18/h5-9,11-14,17H,3-4,10,15,21H2,1-2H3,(H,22,24).
What are the key properties of N-(1-aminohexan-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide?
N-(1-aminohexan-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 389.52 g/mol, XLogP of 2.76, 9 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-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 119668039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).