2-aminobenzoic acid;N-(4-hydroxyphenyl)acetamide;sulfurothioic O-acid

C15H18N2O7S2 — CID 46916926

IUPAC2-aminobenzoic acid;N-(4-hydroxyphenyl)acetamide;sulfurothioic O-acid
SMILESCC(=O)Nc1ccc(O)cc1.Nc1ccccc1C(=O)O.O=S(O)(O)=S
InChIInChI=1S/C8H9NO2.C7H7NO2.H2O3S2/c1-6(10)9-7-2-4-8(11)5-3-7;8-6-4-2-1-3-5(6)7(9)10;1-5(2,3)4/h2-5,11H,1H3,(H,9,10);1-4H,8H2,(H,9,10);(H2,1,2,3,4)
InChIKeyODWYAVCDMCQDEW-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.00
Rot. Bonds2

About 2-aminobenzoic acid;N-(4-hydroxyphenyl)acetamide;sulfurothioic O-acid

2-aminobenzoic acid;N-(4-hydroxyphenyl)acetamide;sulfurothioic O-acid (PubChem CID 46916926) has the molecular formula C15H18N2O7S2 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-aminobenzoic acid;N-(4-hydroxyphenyl)acetamide;sulfurothioic O-acid.

Molecular Properties

Compound Name2-aminobenzoic acid;N-(4-hydroxyphenyl)acetamide;sulfurothioic O-acid
PubChem CID46916926
Molecular FormulaC15H18N2O7S2
Molecular Weight402.45 g/mol
Exact Mass402.06
IUPAC Name2-aminobenzoic acid;N-(4-hydroxyphenyl)acetamide;sulfurothioic O-acid
SMILESCC(=O)Nc1ccc(O)cc1.Nc1ccccc1C(=O)O.O=S(O)(O)=S
InChIInChI=1S/C8H9NO2.C7H7NO2.H2O3S2/c1-6(10)9-7-2-4-8(11)5-3-7;8-6-4-2-1-3-5(6)7(9)10;1-5(2,3)4/h2-5,11H,1H3,(H,9,10);1-4H,8H2,(H,9,10);(H2,1,2,3,4)
InChIKeyODWYAVCDMCQDEW-UHFFFAOYSA-N
XLogP2.00
TPSA170.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 52.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-aminobenzoic acid;N-(4-hydroxyphenyl)acetamide;sulfurothioic O-acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate
CID 173295896
N-(4-hydroxyphenyl)acetamide;dihydrate
CID 140999210
bis(2-aminobenzoic acid);nickel
CID 73156847
N-(4-hydroxyphenyl)acetamide;iron
CID 69304461
CID 172796646
CID 172796646
2-aminobenzoic acid;azane
CID 21425790
2-aminobenzoic acid;hydrate
CID 70144361
2-aminobenzoic acid;2-aminophenol
CID 23062986
2-aminobenzoic acid;urea
CID 158027537
bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride
CID 174353959
N-(4-acetamidophenyl)-2-amino-5-hydroxybenzamide
CID 107073912

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzoic acid;N-(4-hydroxyphenyl)acetamide;sulfurothioic O-acid?
The IUPAC name of 2-aminobenzoic acid;N-(4-hydroxyphenyl)acetamide;sulfurothioic O-acid (CID 46916926) is 2-aminobenzoic acid;N-(4-hydroxyphenyl)acetamide;sulfurothioic O-acid.
What is the SMILES notation for 2-aminobenzoic acid;N-(4-hydroxyphenyl)acetamide;sulfurothioic O-acid?
The canonical SMILES for 2-aminobenzoic acid;N-(4-hydroxyphenyl)acetamide;sulfurothioic O-acid is CC(=O)Nc1ccc(O)cc1.Nc1ccccc1C(=O)O.O=S(O)(O)=S.
What is the InChIKey of 2-aminobenzoic acid;N-(4-hydroxyphenyl)acetamide;sulfurothioic O-acid?
The InChIKey is ODWYAVCDMCQDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C7H7NO2.H2O3S2/c1-6(10)9-7-2-4-8(11)5-3-7;8-6-4-2-1-3-5(6)7(9)10;1-5(2,3)4/h2-5,11H,1H3,(H,9,10);1-4H,8H2,(H,9,10);(H2,1,2,3,4).
What are the key properties of 2-aminobenzoic acid;N-(4-hydroxyphenyl)acetamide;sulfurothioic O-acid?
2-aminobenzoic acid;N-(4-hydroxyphenyl)acetamide;sulfurothioic O-acid has a molecular weight of 402.45 g/mol, XLogP of 2.00, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzoic acid;N-(4-hydroxyphenyl)acetamide;sulfurothioic O-acid is sourced from PubChem (CID 46916926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).