5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide

C15H24N2OS — CID 102705866

IUPAC5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)N(C)C(=O)c1cc(N)c(C)cc1C
InChIInChI=1S/C15H24N2OS/c1-6-12(9-19-5)17(4)15(18)13-8-14(16)11(3)7-10(13)2/h7-8,12H,6,9,16H2,1-5H3
InChIKeyOSIHQGKQSDWTPD-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.10
Rot. Bonds5

About 5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide

5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide (PubChem CID 102705866) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
PubChem CID102705866
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)N(C)C(=O)c1cc(N)c(C)cc1C
InChIInChI=1S/C15H24N2OS/c1-6-12(9-19-5)17(4)15(18)13-8-14(16)11(3)7-10(13)2/h7-8,12H,6,9,16H2,1-5H3
InChIKeyOSIHQGKQSDWTPD-UHFFFAOYSA-N
XLogP3.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112656391
4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659238
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 115987269
2-amino-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 114194010
2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551572
3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43570555
2-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]benzoic acid
CID 112657921
2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103526844
4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659645
N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide
CID 107034211
2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656503
3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112701900

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide (CID 102705866) is 5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide is CCC(CSC)N(C)C(=O)c1cc(N)c(C)cc1C.
What is the InChIKey of 5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The InChIKey is OSIHQGKQSDWTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-6-12(9-19-5)17(4)15(18)13-8-14(16)11(3)7-10(13)2/h7-8,12H,6,9,16H2,1-5H3.
What are the key properties of 5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide has a molecular weight of 280.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 102705866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).