S-[2-(naphthalen-2-ylamino)-2-oxoethyl] benzenecarbothioate

C19H15NO2S — CID 2343098

IUPACS-[2-(naphthalen-2-ylamino)-2-oxoethyl] benzenecarbothioate
SMILESO=C(CSC(=O)c1ccccc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H15NO2S/c21-18(13-23-19(22)15-7-2-1-3-8-15)20-17-11-10-14-6-4-5-9-16(14)12-17/h1-12H,13H2,(H,20,21)
InChIKeyQFZPITMDWOYXFL-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.35
Rot. Bonds4

About S-[2-(naphthalen-2-ylamino)-2-oxoethyl] benzenecarbothioate

S-[2-(naphthalen-2-ylamino)-2-oxoethyl] benzenecarbothioate (PubChem CID 2343098) has the molecular formula C19H15NO2S and a molecular weight of 321.40 g/mol. Its IUPAC name is S-[2-(naphthalen-2-ylamino)-2-oxoethyl] benzenecarbothioate.

Molecular Properties

Compound NameS-[2-(naphthalen-2-ylamino)-2-oxoethyl] benzenecarbothioate
PubChem CID2343098
Molecular FormulaC19H15NO2S
Molecular Weight321.40 g/mol
Exact Mass321.08
IUPAC NameS-[2-(naphthalen-2-ylamino)-2-oxoethyl] benzenecarbothioate
SMILESO=C(CSC(=O)c1ccccc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H15NO2S/c21-18(13-23-19(22)15-7-2-1-3-8-15)20-17-11-10-14-6-4-5-9-16(14)12-17/h1-12H,13H2,(H,20,21)
InChIKeyQFZPITMDWOYXFL-UHFFFAOYSA-N
XLogP4.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-[2-(4-carbamoylanilino)-2-oxoethyl] benzenecarbothioate
CID 2371904
N-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide
CID 4994531
2-benzylsulfanyl-N-naphthalen-2-ylacetamide
CID 2558119
[2-(naphthalen-2-ylamino)-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 2403487
[2-(naphthalen-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7607162
3-[(2-naphthalen-2-ylsulfanylacetyl)amino]benzoic acid
CID 45425864
N-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide
CID 1322911
4-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786345
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylacetamide
CID 4517056
[3-(naphthalen-2-ylamino)-3-oxopropyl]azanium
CID 7021427
2-(diethylamino)-N-naphthalen-2-ylacetamide
CID 44883479
(E)-4-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22786135

Frequently Asked Questions

What is the IUPAC name of S-[2-(naphthalen-2-ylamino)-2-oxoethyl] benzenecarbothioate?
The IUPAC name of S-[2-(naphthalen-2-ylamino)-2-oxoethyl] benzenecarbothioate (CID 2343098) is S-[2-(naphthalen-2-ylamino)-2-oxoethyl] benzenecarbothioate.
What is the SMILES notation for S-[2-(naphthalen-2-ylamino)-2-oxoethyl] benzenecarbothioate?
The canonical SMILES for S-[2-(naphthalen-2-ylamino)-2-oxoethyl] benzenecarbothioate is O=C(CSC(=O)c1ccccc1)Nc1ccc2ccccc2c1.
What is the InChIKey of S-[2-(naphthalen-2-ylamino)-2-oxoethyl] benzenecarbothioate?
The InChIKey is QFZPITMDWOYXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2S/c21-18(13-23-19(22)15-7-2-1-3-8-15)20-17-11-10-14-6-4-5-9-16(14)12-17/h1-12H,13H2,(H,20,21).
What are the key properties of S-[2-(naphthalen-2-ylamino)-2-oxoethyl] benzenecarbothioate?
S-[2-(naphthalen-2-ylamino)-2-oxoethyl] benzenecarbothioate has a molecular weight of 321.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-(naphthalen-2-ylamino)-2-oxoethyl] benzenecarbothioate is sourced from PubChem (CID 2343098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).