2-amino-N-(2-phenylsulfanylethyl)benzamide

C15H16N2OS — CID 60977100

IUPAC2-amino-N-(2-phenylsulfanylethyl)benzamide
SMILESNc1ccccc1C(=O)NCCSc1ccccc1
InChIInChI=1S/C15H16N2OS/c16-14-9-5-4-8-13(14)15(18)17-10-11-19-12-6-2-1-3-7-12/h1-9H,10-11,16H2,(H,17,18)
InChIKeyBUNZKAQOSWBINB-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.79
Rot. Bonds5

About 2-amino-N-(2-phenylsulfanylethyl)benzamide

2-amino-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 60977100) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-amino-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2-phenylsulfanylethyl)benzamide
PubChem CID60977100
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-amino-N-(2-phenylsulfanylethyl)benzamide
SMILESNc1ccccc1C(=O)NCCSc1ccccc1
InChIInChI=1S/C15H16N2OS/c16-14-9-5-4-8-13(14)15(18)17-10-11-19-12-6-2-1-3-7-12/h1-9H,10-11,16H2,(H,17,18)
InChIKeyBUNZKAQOSWBINB-UHFFFAOYSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.79
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'}

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Related Compounds

2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887658
2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 115540177
3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 103979113
2-amino-N-(4-pyridin-4-ylsulfanylbutyl)benzamide;dihydrochloride
CID 19079248
2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide
CID 103950289
2-bromo-5-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 80965861
2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 103763452
2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride
CID 119944236
4-amino-N-(2-phenylsulfanylethyl)-1,2,5-oxadiazole-3-carboxamide
CID 55091034
3-amino-N-(2-phenylsulfanylethyl)-1H-pyrazole-5-carboxamide
CID 64525684
2-(2-aminoethoxy)-5-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 118764914
3-amino-5-fluoro-4-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 61117318

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 2-amino-N-(2-phenylsulfanylethyl)benzamide (CID 60977100) is 2-amino-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 2-amino-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 2-amino-N-(2-phenylsulfanylethyl)benzamide is Nc1ccccc1C(=O)NCCSc1ccccc1.
What is the InChIKey of 2-amino-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is BUNZKAQOSWBINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c16-14-9-5-4-8-13(14)15(18)17-10-11-19-12-6-2-1-3-7-12/h1-9H,10-11,16H2,(H,17,18).
What are the key properties of 2-amino-N-(2-phenylsulfanylethyl)benzamide?
2-amino-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 272.37 g/mol, XLogP of 2.79, 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-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 60977100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).