N-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide

C13H20N2OS — CID 119522951

IUPACN-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)NC(C)(C)CN)c1
InChIInChI=1S/C13H20N2OS/c1-9-5-6-10(17-4)7-11(9)12(16)15-13(2,3)8-14/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyAEBSJAUXGCONCP-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.18
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide

N-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide (PubChem CID 119522951) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide
PubChem CID119522951
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)NC(C)(C)CN)c1
InChIInChI=1S/C13H20N2OS/c1-9-5-6-10(17-4)7-11(9)12(16)15-13(2,3)8-14/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyAEBSJAUXGCONCP-UHFFFAOYSA-N
XLogP2.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzamide;hydrochloride
CID 119523285
2-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]propanoic acid
CID 61261706
N-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide
CID 65110031
N-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide
CID 79676305
N-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide
CID 47149231
N-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide
CID 112701308
N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide
CID 119614910
N-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide
CID 81485961
N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379070
N-(1-amino-2-methylpropan-2-yl)-3-iodo-4-methylbenzamide
CID 119524913
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-hydroxybenzamide
CID 107677101
N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
CID 119522762

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide (CID 119522951) is N-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide is CSc1ccc(C)c(C(=O)NC(C)(C)CN)c1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide?
The InChIKey is AEBSJAUXGCONCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-5-6-10(17-4)7-11(9)12(16)15-13(2,3)8-14/h5-7H,8,14H2,1-4H3,(H,15,16).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide?
N-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide has a molecular weight of 252.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide is sourced from PubChem (CID 119522951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).