5-amino-2,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzamide

C14H20N2OS — CID 106425136

IUPAC5-amino-2,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzamide
SMILESC=CCSCCNC(=O)c1cc(N)c(C)cc1C
InChIInChI=1S/C14H20N2OS/c1-4-6-18-7-5-16-14(17)12-9-13(15)11(3)8-10(12)2/h4,8-9H,1,5-7,15H2,2-3H3,(H,16,17)
InChIKeyJGCOGPZFRYRCKU-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.53
Rot. Bonds6

About 5-amino-2,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzamide

5-amino-2,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzamide (PubChem CID 106425136) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzamide
PubChem CID106425136
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name5-amino-2,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzamide
SMILESC=CCSCCNC(=O)c1cc(N)c(C)cc1C
InChIInChI=1S/C14H20N2OS/c1-4-6-18-7-5-16-14(17)12-9-13(15)11(3)8-10(12)2/h4,8-9H,1,5-7,15H2,2-3H3,(H,16,17)
InChIKeyJGCOGPZFRYRCKU-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-methyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425113
2-amino-6-methyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425056
3-hydroxy-4-methyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 113358445
3-amino-5-fluoro-4-methyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 114187122
5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102704987
5-amino-2-(dimethylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425099
3-amino-5-fluoro-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425062
5-amino-2-chloro-N-(2-prop-2-enylsulfanylethyl)pyridine-3-carboxamide
CID 106425075
5-amino-N-but-3-ynyl-2,4-dimethylbenzamide
CID 102705618
5-amino-N-hexyl-2,4-dimethylbenzamide
CID 102705178
2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide
CID 106898564
5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide
CID 102704827

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzamide (CID 106425136) is 5-amino-2,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzamide is C=CCSCCNC(=O)c1cc(N)c(C)cc1C.
What is the InChIKey of 5-amino-2,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzamide?
The InChIKey is JGCOGPZFRYRCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-4-6-18-7-5-16-14(17)12-9-13(15)11(3)8-10(12)2/h4,8-9H,1,5-7,15H2,2-3H3,(H,16,17).
What are the key properties of 5-amino-2,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzamide?
5-amino-2,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzamide has a molecular weight of 264.39 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzamide is sourced from PubChem (CID 106425136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).