2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide

C13H18N2OS — CID 106430283

IUPAC2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide
SMILESC=CCSCCNC(=O)c1ccccc1NC
InChIInChI=1S/C13H18N2OS/c1-3-9-17-10-8-15-13(16)11-6-4-5-7-12(11)14-2/h3-7,14H,1,8-10H2,2H3,(H,15,16)
InChIKeyVYZPSZKMURTYPF-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.38
Rot. Bonds7

About 2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide

2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide (PubChem CID 106430283) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide
PubChem CID106430283
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide
SMILESC=CCSCCNC(=O)c1ccccc1NC
InChIInChI=1S/C13H18N2OS/c1-3-9-17-10-8-15-13(16)11-6-4-5-7-12(11)14-2/h3-7,14H,1,8-10H2,2H3,(H,15,16)
InChIKeyVYZPSZKMURTYPF-UHFFFAOYSA-N
XLogP2.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-prop-2-enylsulfanylethylcarbamoylamino)benzoic acid
CID 106430402
2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide
CID 106898564
2-chloro-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide
CID 106812382
4-amino-2-methyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425113
2-(methylamino)-N-(4-methylpentyl)benzamide
CID 61377674
3-amino-N-(2-prop-2-enylsulfanylethyl)pyridine-2-carboxamide
CID 106427426
5-amino-2,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425136
2-hydroxy-3-(2-prop-2-enylsulfanylethylcarbamoylamino)benzoic acid
CID 106430779
2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 114175674
5-amino-2-(dimethylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425099
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
2-amino-6-methyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425056

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide?
The IUPAC name of 2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide (CID 106430283) is 2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide.
What is the SMILES notation for 2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide?
The canonical SMILES for 2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide is C=CCSCCNC(=O)c1ccccc1NC.
What is the InChIKey of 2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide?
The InChIKey is VYZPSZKMURTYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-9-17-10-8-15-13(16)11-6-4-5-7-12(11)14-2/h3-7,14H,1,8-10H2,2H3,(H,15,16).
What are the key properties of 2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide?
2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide has a molecular weight of 250.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide is sourced from PubChem (CID 106430283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).