2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide

C14H22N2OS — CID 103822118

IUPAC2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
SMILESCCC(CC)(CNC(=O)c1ccccc1N)SC
InChIInChI=1S/C14H22N2OS/c1-4-14(5-2,18-3)10-16-13(17)11-8-6-7-9-12(11)15/h6-9H,4-5,10,15H2,1-3H3,(H,16,17)
InChIKeyYOWJMWUICMKWER-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.92
Rot. Bonds6

About 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide

2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide (PubChem CID 103822118) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
PubChem CID103822118
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
SMILESCCC(CC)(CNC(=O)c1ccccc1N)SC
InChIInChI=1S/C14H22N2OS/c1-4-14(5-2,18-3)10-16-13(17)11-8-6-7-9-12(11)15/h6-9H,4-5,10,15H2,1-3H3,(H,16,17)
InChIKeyYOWJMWUICMKWER-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103812552
3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174920
2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide
CID 106898975
N-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-3-nitrobenzamide
CID 103800350
2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)-5-methylbenzamide
CID 113259213
6-amino-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-2-carboxamide
CID 103832168
5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103709313
N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide
CID 103709293
2-amino-N-(3-amino-2,2-difluoropropyl)benzamide
CID 122081037
2-amino-N-(2-hydroxypropyl)benzamide
CID 12562298
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide;dihydrochloride
CID 119946092
N-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-5-methylbenzamide
CID 103712019

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide?
The IUPAC name of 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide (CID 103822118) is 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide.
What is the SMILES notation for 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide?
The canonical SMILES for 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide is CCC(CC)(CNC(=O)c1ccccc1N)SC.
What is the InChIKey of 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide?
The InChIKey is YOWJMWUICMKWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-14(5-2,18-3)10-16-13(17)11-8-6-7-9-12(11)15/h6-9H,4-5,10,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide?
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide has a molecular weight of 266.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide is sourced from PubChem (CID 103822118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).