N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide

C15H24N2O3S — CID 119586545

IUPACN-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide
SMILESCc1ccc(C(=O)NC(CN)CC(C)C)cc1S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-10(2)7-13(9-16)17-15(18)12-6-5-11(3)14(8-12)21(4,19)20/h5-6,8,10,13H,7,9,16H2,1-4H3,(H,17,18)
InChIKeyHIUXTMHPEZAXOP-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.50
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide

N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide (PubChem CID 119586545) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide
PubChem CID119586545
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide
SMILESCc1ccc(C(=O)NC(CN)CC(C)C)cc1S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-10(2)7-13(9-16)17-15(18)12-6-5-11(3)14(8-12)21(4,19)20/h5-6,8,10,13H,7,9,16H2,1-4H3,(H,17,18)
InChIKeyHIUXTMHPEZAXOP-UHFFFAOYSA-N
XLogP1.50
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 119588472
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride
CID 119587345
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119587994
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide
CID 103807055
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide
CID 114024777
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
CID 55243905
3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119587745
N-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide
CID 119588784
N-(1-amino-4-methylpentan-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 119587154

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide (CID 119586545) is N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide is Cc1ccc(C(=O)NC(CN)CC(C)C)cc1S(C)(=O)=O.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide?
The InChIKey is HIUXTMHPEZAXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-10(2)7-13(9-16)17-15(18)12-6-5-11(3)14(8-12)21(4,19)20/h5-6,8,10,13H,7,9,16H2,1-4H3,(H,17,18).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide?
N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide has a molecular weight of 312.44 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 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-methyl-3-methylsulfonylbenzamide is sourced from PubChem (CID 119586545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).