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

C12H14N2OS — CID 103950289

IUPAC2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide
SMILESC#CCSCCNC(=O)c1ccccc1N
InChIInChI=1S/C12H14N2OS/c1-2-8-16-9-7-14-12(15)10-5-3-4-6-11(10)13/h1,3-6H,7-9,13H2,(H,14,15)
InChIKeyIHDZXHWWJQSMSH-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.37
Rot. Bonds5

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

2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide (PubChem CID 103950289) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide
PubChem CID103950289
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide
SMILESC#CCSCCNC(=O)c1ccccc1N
InChIInChI=1S/C12H14N2OS/c1-2-8-16-9-7-14-12(15)10-5-3-4-6-11(10)13/h1,3-6H,7-9,13H2,(H,14,15)
InChIKeyIHDZXHWWJQSMSH-UHFFFAOYSA-N
XLogP1.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.37
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-methoxy-N-(2-prop-2-ynylsulfanylethyl)benzamide
CID 106425219
2-amino-N-(2-phenylsulfanylethyl)benzamide
CID 60977100
2-bromo-6-fluoro-N-(2-prop-2-ynylsulfanylethyl)benzamide
CID 103733947
5-amino-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-4-carboxamide
CID 106432187
4-amino-3-chloro-N-(2-prop-2-ynylsulfanylethyl)benzamide
CID 106425242
4-(2-prop-2-ynylsulfanylethylcarbamoyl)benzoic acid
CID 114188190
5-amino-N-(2-prop-2-ynylsulfanylethyl)pyridine-2-carboxamide
CID 106425176
5-amino-2-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridine-3-carboxamide
CID 114187151
2-N-(2-prop-2-ynylsulfanylethyl)benzene-1,2-diamine
CID 106426214
2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride
CID 119944236
4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide
CID 106425236
2,3-difluoro-N-(2-prop-2-ynylsulfanylethyl)pyridine-4-carboxamide
CID 107470805

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide?
The IUPAC name of 2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide (CID 103950289) is 2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide.
What is the SMILES notation for 2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide?
The canonical SMILES for 2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide is C#CCSCCNC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide?
The InChIKey is IHDZXHWWJQSMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-8-16-9-7-14-12(15)10-5-3-4-6-11(10)13/h1,3-6H,7-9,13H2,(H,14,15).
What are the key properties of 2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide?
2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide has a molecular weight of 234.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide is sourced from PubChem (CID 103950289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).