2-(2-nitrosophenyl)ethyl 2-(thiophene-2-carbonyl)benzoate

C20H15NO4S — CID 89147756

IUPAC2-(2-nitrosophenyl)ethyl 2-(thiophene-2-carbonyl)benzoate
SMILESO=Nc1ccccc1CCOC(=O)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C20H15NO4S/c22-19(18-10-5-13-26-18)15-7-2-3-8-16(15)20(23)25-12-11-14-6-1-4-9-17(14)21-24/h1-10,13H,11-12H2
InChIKeyBZNHUYOSNQHINT-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.78
Rot. Bonds7

About 2-(2-nitrosophenyl)ethyl 2-(thiophene-2-carbonyl)benzoate

2-(2-nitrosophenyl)ethyl 2-(thiophene-2-carbonyl)benzoate (PubChem CID 89147756) has the molecular formula C20H15NO4S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-(2-nitrosophenyl)ethyl 2-(thiophene-2-carbonyl)benzoate.

Molecular Properties

Compound Name2-(2-nitrosophenyl)ethyl 2-(thiophene-2-carbonyl)benzoate
PubChem CID89147756
Molecular FormulaC20H15NO4S
Molecular Weight365.41 g/mol
Exact Mass365.07
IUPAC Name2-(2-nitrosophenyl)ethyl 2-(thiophene-2-carbonyl)benzoate
SMILESO=Nc1ccccc1CCOC(=O)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C20H15NO4S/c22-19(18-10-5-13-26-18)15-7-2-3-8-16(15)20(23)25-12-11-14-6-1-4-9-17(14)21-24/h1-10,13H,11-12H2
InChIKeyBZNHUYOSNQHINT-UHFFFAOYSA-N
XLogP4.78
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-thiophen-2-ylpropyl 2-(thiophene-2-carbonyl)benzoate
CID 11960620
(2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate
CID 18151557
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-(thiophene-2-carbonyl)benzoate
CID 8835489
4-(1,3-dioxoisoindol-2-yl)butyl 2-(thiophene-2-carbonyl)benzoate
CID 46811990
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate
CID 55367076
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate
CID 55386197
(2-phenyldiazenylphenyl)-thiophen-2-ylmethanone
CID 138980695
(5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate
CID 9063187
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonyl)benzoate
CID 8970571
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(thiophene-2-carbonyl)benzoate
CID 46812034
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate
CID 55423830
[2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate
CID 17138532

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrosophenyl)ethyl 2-(thiophene-2-carbonyl)benzoate?
The IUPAC name of 2-(2-nitrosophenyl)ethyl 2-(thiophene-2-carbonyl)benzoate (CID 89147756) is 2-(2-nitrosophenyl)ethyl 2-(thiophene-2-carbonyl)benzoate.
What is the SMILES notation for 2-(2-nitrosophenyl)ethyl 2-(thiophene-2-carbonyl)benzoate?
The canonical SMILES for 2-(2-nitrosophenyl)ethyl 2-(thiophene-2-carbonyl)benzoate is O=Nc1ccccc1CCOC(=O)c1ccccc1C(=O)c1cccs1.
What is the InChIKey of 2-(2-nitrosophenyl)ethyl 2-(thiophene-2-carbonyl)benzoate?
The InChIKey is BZNHUYOSNQHINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4S/c22-19(18-10-5-13-26-18)15-7-2-3-8-16(15)20(23)25-12-11-14-6-1-4-9-17(14)21-24/h1-10,13H,11-12H2.
What are the key properties of 2-(2-nitrosophenyl)ethyl 2-(thiophene-2-carbonyl)benzoate?
2-(2-nitrosophenyl)ethyl 2-(thiophene-2-carbonyl)benzoate has a molecular weight of 365.41 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrosophenyl)ethyl 2-(thiophene-2-carbonyl)benzoate is sourced from PubChem (CID 89147756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).