N,N,2-trimethyl-5-(4-methylsulfanylbutanoylamino)benzamide

C15H22N2O2S — CID 71975441

IUPACN,N,2-trimethyl-5-(4-methylsulfanylbutanoylamino)benzamide
SMILESCSCCCC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1
InChIInChI=1S/C15H22N2O2S/c1-11-7-8-12(10-13(11)15(19)17(2)3)16-14(18)6-5-9-20-4/h7-8,10H,5-6,9H2,1-4H3,(H,16,18)
InChIKeyHGRKHSUDXYKXPH-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.78
Rot. Bonds6

About N,N,2-trimethyl-5-(4-methylsulfanylbutanoylamino)benzamide

N,N,2-trimethyl-5-(4-methylsulfanylbutanoylamino)benzamide (PubChem CID 71975441) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N,N,2-trimethyl-5-(4-methylsulfanylbutanoylamino)benzamide.

Molecular Properties

Compound NameN,N,2-trimethyl-5-(4-methylsulfanylbutanoylamino)benzamide
PubChem CID71975441
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN,N,2-trimethyl-5-(4-methylsulfanylbutanoylamino)benzamide
SMILESCSCCCC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1
InChIInChI=1S/C15H22N2O2S/c1-11-7-8-12(10-13(11)15(19)17(2)3)16-14(18)6-5-9-20-4/h7-8,10H,5-6,9H2,1-4H3,(H,16,18)
InChIKeyHGRKHSUDXYKXPH-UHFFFAOYSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-chloroacetyl)amino]-N,N,2-trimethylbenzamide
CID 166403824
4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide
CID 119332645
5-[[2-(2-methoxyethylamino)acetyl]amino]-N,N,2-trimethylbenzamide;hydrochloride
CID 119808622
2-methyl-5-[[5-oxo-5-(propylamino)pentanoyl]amino]benzoic acid
CID 119255213
4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide
CID 120563222
4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide
CID 119332625
5-(7-aminoheptanoylamino)-2-methylbenzoic acid
CID 63652626
5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119808581
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
5-methylsulfanyl-N-phenylpentanamide
CID 57105237
N-(3-acetyl-4-methylphenyl)butanamide;ethane
CID 153353610
2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119718973

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-(4-methylsulfanylbutanoylamino)benzamide?
The IUPAC name of N,N,2-trimethyl-5-(4-methylsulfanylbutanoylamino)benzamide (CID 71975441) is N,N,2-trimethyl-5-(4-methylsulfanylbutanoylamino)benzamide.
What is the SMILES notation for N,N,2-trimethyl-5-(4-methylsulfanylbutanoylamino)benzamide?
The canonical SMILES for N,N,2-trimethyl-5-(4-methylsulfanylbutanoylamino)benzamide is CSCCCC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1.
What is the InChIKey of N,N,2-trimethyl-5-(4-methylsulfanylbutanoylamino)benzamide?
The InChIKey is HGRKHSUDXYKXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-7-8-12(10-13(11)15(19)17(2)3)16-14(18)6-5-9-20-4/h7-8,10H,5-6,9H2,1-4H3,(H,16,18).
What are the key properties of N,N,2-trimethyl-5-(4-methylsulfanylbutanoylamino)benzamide?
N,N,2-trimethyl-5-(4-methylsulfanylbutanoylamino)benzamide has a molecular weight of 294.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-(4-methylsulfanylbutanoylamino)benzamide is sourced from PubChem (CID 71975441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).