N-(1-amino-4-methylpentan-2-yl)-4-[(ethylsulfonylamino)methyl]benzamide

C16H27N3O3S — CID 119587508

IUPACN-(1-amino-4-methylpentan-2-yl)-4-[(ethylsulfonylamino)methyl]benzamide
SMILESCCS(=O)(=O)NCc1ccc(C(=O)NC(CN)CC(C)C)cc1
InChIInChI=1S/C16H27N3O3S/c1-4-23(21,22)18-11-13-5-7-14(8-6-13)16(20)19-15(10-17)9-12(2)3/h5-8,12,15,18H,4,9-11,17H2,1-3H3,(H,19,20)
InChIKeyJHITVXPSWMYGJU-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.23
Rot. Bonds9

About N-(1-amino-4-methylpentan-2-yl)-4-[(ethylsulfonylamino)methyl]benzamide

N-(1-amino-4-methylpentan-2-yl)-4-[(ethylsulfonylamino)methyl]benzamide (PubChem CID 119587508) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-[(ethylsulfonylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-[(ethylsulfonylamino)methyl]benzamide
PubChem CID119587508
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-[(ethylsulfonylamino)methyl]benzamide
SMILESCCS(=O)(=O)NCc1ccc(C(=O)NC(CN)CC(C)C)cc1
InChIInChI=1S/C16H27N3O3S/c1-4-23(21,22)18-11-13-5-7-14(8-6-13)16(20)19-15(10-17)9-12(2)3/h5-8,12,15,18H,4,9-11,17H2,1-3H3,(H,19,20)
InChIKeyJHITVXPSWMYGJU-UHFFFAOYSA-N
XLogP1.23
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide
CID 119588043
N-(1-amino-4-methylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 119586202
N-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide
CID 119588784
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride
CID 119586687
N-(1-amino-4-methylpentan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119586887
N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide
CID 119586545
4-[(ethylsulfonylamino)methyl]-N-[2-(methylamino)propyl]benzamide
CID 120830963
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246638
N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119588511
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-[(ethylsulfonylamino)methyl]benzamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-[(ethylsulfonylamino)methyl]benzamide (CID 119587508) is N-(1-amino-4-methylpentan-2-yl)-4-[(ethylsulfonylamino)methyl]benzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-[(ethylsulfonylamino)methyl]benzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-[(ethylsulfonylamino)methyl]benzamide is CCS(=O)(=O)NCc1ccc(C(=O)NC(CN)CC(C)C)cc1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-[(ethylsulfonylamino)methyl]benzamide?
The InChIKey is JHITVXPSWMYGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-4-23(21,22)18-11-13-5-7-14(8-6-13)16(20)19-15(10-17)9-12(2)3/h5-8,12,15,18H,4,9-11,17H2,1-3H3,(H,19,20).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-[(ethylsulfonylamino)methyl]benzamide?
N-(1-amino-4-methylpentan-2-yl)-4-[(ethylsulfonylamino)methyl]benzamide has a molecular weight of 341.48 g/mol, XLogP of 1.23, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-[(ethylsulfonylamino)methyl]benzamide is sourced from PubChem (CID 119587508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).