2-amino-6-methoxy-N-(2-prop-2-ynylsulfanylethyl)benzamide

C13H16N2O2S — CID 106425219

IUPAC2-amino-6-methoxy-N-(2-prop-2-ynylsulfanylethyl)benzamide
SMILESC#CCSCCNC(=O)c1c(N)cccc1OC
InChIInChI=1S/C13H16N2O2S/c1-3-8-18-9-7-15-13(16)12-10(14)5-4-6-11(12)17-2/h1,4-6H,7-9,14H2,2H3,(H,15,16)
InChIKeyGNLKCWAJVUKOML-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.37
Rot. Bonds6

About 2-amino-6-methoxy-N-(2-prop-2-ynylsulfanylethyl)benzamide

2-amino-6-methoxy-N-(2-prop-2-ynylsulfanylethyl)benzamide (PubChem CID 106425219) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-amino-6-methoxy-N-(2-prop-2-ynylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2-amino-6-methoxy-N-(2-prop-2-ynylsulfanylethyl)benzamide
PubChem CID106425219
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-amino-6-methoxy-N-(2-prop-2-ynylsulfanylethyl)benzamide
SMILESC#CCSCCNC(=O)c1c(N)cccc1OC
InChIInChI=1S/C13H16N2O2S/c1-3-8-18-9-7-15-13(16)12-10(14)5-4-6-11(12)17-2/h1,4-6H,7-9,14H2,2H3,(H,15,16)
InChIKeyGNLKCWAJVUKOML-UHFFFAOYSA-N
XLogP1.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide
CID 103950289
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
2-amino-N-(3-hydroxybutyl)-6-methoxybenzamide
CID 81420949
2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide
CID 81421132
2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide
CID 81420269
2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide
CID 81395966
2-amino-6-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 81395621
2-amino-6-ethoxy-N-hex-5-ynylbenzamide
CID 106208141
2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide
CID 114154654
4-amino-3-chloro-N-(2-prop-2-ynylsulfanylethyl)benzamide
CID 106425242
4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide
CID 106425236
2-amino-6-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 81393736

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-N-(2-prop-2-ynylsulfanylethyl)benzamide?
The IUPAC name of 2-amino-6-methoxy-N-(2-prop-2-ynylsulfanylethyl)benzamide (CID 106425219) is 2-amino-6-methoxy-N-(2-prop-2-ynylsulfanylethyl)benzamide.
What is the SMILES notation for 2-amino-6-methoxy-N-(2-prop-2-ynylsulfanylethyl)benzamide?
The canonical SMILES for 2-amino-6-methoxy-N-(2-prop-2-ynylsulfanylethyl)benzamide is C#CCSCCNC(=O)c1c(N)cccc1OC.
What is the InChIKey of 2-amino-6-methoxy-N-(2-prop-2-ynylsulfanylethyl)benzamide?
The InChIKey is GNLKCWAJVUKOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-3-8-18-9-7-15-13(16)12-10(14)5-4-6-11(12)17-2/h1,4-6H,7-9,14H2,2H3,(H,15,16).
What are the key properties of 2-amino-6-methoxy-N-(2-prop-2-ynylsulfanylethyl)benzamide?
2-amino-6-methoxy-N-(2-prop-2-ynylsulfanylethyl)benzamide has a molecular weight of 264.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-N-(2-prop-2-ynylsulfanylethyl)benzamide is sourced from PubChem (CID 106425219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).