4-(2-amino-2-sulfanylideneethyl)-N-(4-hydroxyphenyl)benzamide

C15H14N2O2S — CID 82179485

IUPAC4-(2-amino-2-sulfanylideneethyl)-N-(4-hydroxyphenyl)benzamide
SMILESNC(=S)Cc1ccc(C(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C15H14N2O2S/c16-14(20)9-10-1-3-11(4-2-10)15(19)17-12-5-7-13(18)8-6-12/h1-8,18H,9H2,(H2,16,20)(H,17,19)
InChIKeySRSZDLRQMFIEDZ-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.47
Rot. Bonds4

About 4-(2-amino-2-sulfanylideneethyl)-N-(4-hydroxyphenyl)benzamide

4-(2-amino-2-sulfanylideneethyl)-N-(4-hydroxyphenyl)benzamide (PubChem CID 82179485) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-(2-amino-2-sulfanylideneethyl)-N-(4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-(2-amino-2-sulfanylideneethyl)-N-(4-hydroxyphenyl)benzamide
PubChem CID82179485
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name4-(2-amino-2-sulfanylideneethyl)-N-(4-hydroxyphenyl)benzamide
SMILESNC(=S)Cc1ccc(C(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C15H14N2O2S/c16-14(20)9-10-1-3-11(4-2-10)15(19)17-12-5-7-13(18)8-6-12/h1-8,18H,9H2,(H2,16,20)(H,17,19)
InChIKeySRSZDLRQMFIEDZ-UHFFFAOYSA-N
XLogP2.47
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide
CID 82179511
4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide
CID 14211292
4-(2-amino-2-sulfanylideneethyl)-N-(3-fluorophenyl)benzamide
CID 82179496
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-bromobenzamide
CID 62301577
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-5-bromothiophene-3-carboxamide
CID 107961757
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753009
N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide
CID 51193769
4-(2-amino-2-sulfanylideneethyl)-N-(2-hydroxy-5-methylphenyl)benzamide
CID 82179504
3-(2-amino-2-sulfanylideneethyl)-N-(4-ethylphenyl)benzamide
CID 82179523
3-[4-(2-amino-2-sulfanylideneethyl)phenyl]-1,1-dimethylurea
CID 79154739
4-(2-amino-2-sulfanylideneethyl)-N-tert-butylbenzamide
CID 82178859
4-hydroxy-N-[4-(methylamino)phenyl]benzamide
CID 91493666

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-sulfanylideneethyl)-N-(4-hydroxyphenyl)benzamide?
The IUPAC name of 4-(2-amino-2-sulfanylideneethyl)-N-(4-hydroxyphenyl)benzamide (CID 82179485) is 4-(2-amino-2-sulfanylideneethyl)-N-(4-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-(2-amino-2-sulfanylideneethyl)-N-(4-hydroxyphenyl)benzamide?
The canonical SMILES for 4-(2-amino-2-sulfanylideneethyl)-N-(4-hydroxyphenyl)benzamide is NC(=S)Cc1ccc(C(=O)Nc2ccc(O)cc2)cc1.
What is the InChIKey of 4-(2-amino-2-sulfanylideneethyl)-N-(4-hydroxyphenyl)benzamide?
The InChIKey is SRSZDLRQMFIEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c16-14(20)9-10-1-3-11(4-2-10)15(19)17-12-5-7-13(18)8-6-12/h1-8,18H,9H2,(H2,16,20)(H,17,19).
What are the key properties of 4-(2-amino-2-sulfanylideneethyl)-N-(4-hydroxyphenyl)benzamide?
4-(2-amino-2-sulfanylideneethyl)-N-(4-hydroxyphenyl)benzamide has a molecular weight of 286.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-sulfanylideneethyl)-N-(4-hydroxyphenyl)benzamide is sourced from PubChem (CID 82179485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).