N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide

C16H16N2O2S — CID 82809158

IUPACN-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NC(C(N)=S)c1ccccc1
InChIInChI=1S/C16H16N2O2S/c1-10-12(8-5-9-13(10)19)16(20)18-14(15(17)21)11-6-3-2-4-7-11/h2-9,14,19H,1H3,(H2,17,21)(H,18,20)
InChIKeyYXPBFAUISYGJLR-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.46
Rot. Bonds4

About N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide

N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide (PubChem CID 82809158) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide
PubChem CID82809158
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NC(C(N)=S)c1ccccc1
InChIInChI=1S/C16H16N2O2S/c1-10-12(8-5-9-13(10)19)16(20)18-14(15(17)21)11-6-3-2-4-7-11/h2-9,14,19H,1H3,(H2,17,21)(H,18,20)
InChIKeyYXPBFAUISYGJLR-UHFFFAOYSA-N
XLogP2.46
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-fluoro-3-methylbenzamide
CID 81481274
N-(1-amino-1-sulfanylidenebutan-2-yl)-3-hydroxy-2-methylbenzamide
CID 82829704
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide
CID 61119424
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-fluoro-2-hydroxybenzamide
CID 115298723
(2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid
CID 30123282
N-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide
CID 82830175
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylfuran-2-carboxamide
CID 61119426
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-methyl-3-pyridin-2-ylbenzamide
CID 97242872
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide
CID 61121780
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157151
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide
CID 82786626

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide (CID 82809158) is N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)NC(C(N)=S)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide?
The InChIKey is YXPBFAUISYGJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10-12(8-5-9-13(10)19)16(20)18-14(15(17)21)11-6-3-2-4-7-11/h2-9,14,19H,1H3,(H2,17,21)(H,18,20).
What are the key properties of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide?
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide has a molecular weight of 300.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82809158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).