[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate

C21H19NO5S — CID 8854981

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate
SMILESCCS(=O)(=O)c1ccccc1C(=O)OCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H19NO5S/c1-2-28(25,26)19-10-6-5-9-18(19)21(24)27-14-20(23)22-17-12-11-15-7-3-4-8-16(15)13-17/h3-13H,2,14H2,1H3,(H,22,23)
InChIKeyYDWQCDNPGJZMJU-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.43
Rot. Bonds6

About [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate

[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate (PubChem CID 8854981) has the molecular formula C21H19NO5S and a molecular weight of 397.45 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate
PubChem CID8854981
Molecular FormulaC21H19NO5S
Molecular Weight397.45 g/mol
Exact Mass397.10
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate
SMILESCCS(=O)(=O)c1ccccc1C(=O)OCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H19NO5S/c1-2-28(25,26)19-10-6-5-9-18(19)21(24)27-14-20(23)22-17-12-11-15-7-3-4-8-16(15)13-17/h3-13H,2,14H2,1H3,(H,22,23)
InChIKeyYDWQCDNPGJZMJU-UHFFFAOYSA-N
XLogP3.43
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855380
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855185
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-ethylsulfonylbenzoate
CID 8854856
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11926668
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2572724
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 7796123
ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate
CID 7694825
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855189
[2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855243
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149341
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2530967
[2-(2-cyanoanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855154

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate (CID 8854981) is [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate is CCS(=O)(=O)c1ccccc1C(=O)OCC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate?
The InChIKey is YDWQCDNPGJZMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5S/c1-2-28(25,26)19-10-6-5-9-18(19)21(24)27-14-20(23)22-17-12-11-15-7-3-4-8-16(15)13-17/h3-13H,2,14H2,1H3,(H,22,23).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate has a molecular weight of 397.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate is sourced from PubChem (CID 8854981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).