4-(2-amino-2-sulfanylideneethyl)-N-(2-hydroxy-5-methylphenyl)benzamide

C16H16N2O2S — CID 82179504

IUPAC4-(2-amino-2-sulfanylideneethyl)-N-(2-hydroxy-5-methylphenyl)benzamide
SMILESCc1ccc(O)c(NC(=O)c2ccc(CC(N)=S)cc2)c1
InChIInChI=1S/C16H16N2O2S/c1-10-2-7-14(19)13(8-10)18-16(20)12-5-3-11(4-6-12)9-15(17)21/h2-8,19H,9H2,1H3,(H2,17,21)(H,18,20)
InChIKeyROYZTFBAJPIWPQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.78
Rot. Bonds4

About 4-(2-amino-2-sulfanylideneethyl)-N-(2-hydroxy-5-methylphenyl)benzamide

4-(2-amino-2-sulfanylideneethyl)-N-(2-hydroxy-5-methylphenyl)benzamide (PubChem CID 82179504) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-(2-amino-2-sulfanylideneethyl)-N-(2-hydroxy-5-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(2-amino-2-sulfanylideneethyl)-N-(2-hydroxy-5-methylphenyl)benzamide
PubChem CID82179504
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name4-(2-amino-2-sulfanylideneethyl)-N-(2-hydroxy-5-methylphenyl)benzamide
SMILESCc1ccc(O)c(NC(=O)c2ccc(CC(N)=S)cc2)c1
InChIInChI=1S/C16H16N2O2S/c1-10-2-7-14(19)13(8-10)18-16(20)12-5-3-11(4-6-12)9-15(17)21/h2-8,19H,9H2,1H3,(H2,17,21)(H,18,20)
InChIKeyROYZTFBAJPIWPQ-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[3,5-bis[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]methyl]-1-N,3-N-bis(2-hydroxy-5-methylphenyl)benzene-1,3-dicarboxamide
CID 16753383
3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide
CID 29262487
2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide
CID 884329
N-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide
CID 4945159
4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide
CID 82179511
N-(2-ethyl-5-methylphenyl)-4-methylbenzamide
CID 130461035
N-(2-hydroxy-5-methylphenyl)-4-[2,2,2-trifluoro-1-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]-1-iodoethyl]benzamide
CID 162548179
4-(2-amino-2-sulfanylideneethyl)-N-(2-ethoxyphenyl)benzamide
CID 94806353
N-(2-hydroxy-5-methylphenyl)-4-(2-methylprop-2-enoxy)benzamide
CID 17123767
2-[3-[(4-tert-butylbenzoyl)amino]-4-hydroxyphenyl]acetic acid
CID 108741692
4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide
CID 70334005
2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide
CID 114326804

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-sulfanylideneethyl)-N-(2-hydroxy-5-methylphenyl)benzamide?
The IUPAC name of 4-(2-amino-2-sulfanylideneethyl)-N-(2-hydroxy-5-methylphenyl)benzamide (CID 82179504) is 4-(2-amino-2-sulfanylideneethyl)-N-(2-hydroxy-5-methylphenyl)benzamide.
What is the SMILES notation for 4-(2-amino-2-sulfanylideneethyl)-N-(2-hydroxy-5-methylphenyl)benzamide?
The canonical SMILES for 4-(2-amino-2-sulfanylideneethyl)-N-(2-hydroxy-5-methylphenyl)benzamide is Cc1ccc(O)c(NC(=O)c2ccc(CC(N)=S)cc2)c1.
What is the InChIKey of 4-(2-amino-2-sulfanylideneethyl)-N-(2-hydroxy-5-methylphenyl)benzamide?
The InChIKey is ROYZTFBAJPIWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10-2-7-14(19)13(8-10)18-16(20)12-5-3-11(4-6-12)9-15(17)21/h2-8,19H,9H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of 4-(2-amino-2-sulfanylideneethyl)-N-(2-hydroxy-5-methylphenyl)benzamide?
4-(2-amino-2-sulfanylideneethyl)-N-(2-hydroxy-5-methylphenyl)benzamide has a molecular weight of 300.38 g/mol, XLogP of 2.78, 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-(2-hydroxy-5-methylphenyl)benzamide is sourced from PubChem (CID 82179504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).