[2-(naphthalen-1-ylamino)-2-oxoethyl] thiophene-2-carboxylate

C17H13NO3S — CID 733915

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)Nc1cccc2ccccc12
InChIInChI=1S/C17H13NO3S/c19-16(11-21-17(20)15-9-4-10-22-15)18-14-8-3-6-12-5-1-2-7-13(12)14/h1-10H,11H2,(H,18,19)
InChIKeyMDQNADHGBSEVGR-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.70
Rot. Bonds4

About [2-(naphthalen-1-ylamino)-2-oxoethyl] thiophene-2-carboxylate

[2-(naphthalen-1-ylamino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 733915) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID733915
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)Nc1cccc2ccccc12
InChIInChI=1S/C17H13NO3S/c19-16(11-21-17(20)15-9-4-10-22-15)18-14-8-3-6-12-5-1-2-7-13(12)14/h1-10H,11H2,(H,18,19)
InChIKeyMDQNADHGBSEVGR-UHFFFAOYSA-N
XLogP3.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2-propan-2-ylanilino)ethyl] thiophene-2-carboxylate
CID 725009
[2-(naphthalen-1-ylamino)-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 7532621
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate
CID 30799825
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate
CID 2629383
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7468253
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate
CID 4257120
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2478469
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891494
[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate
CID 2352930
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 2400883
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193993
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-formylbenzoate
CID 2427225

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] thiophene-2-carboxylate (CID 733915) is [2-(naphthalen-1-ylamino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] thiophene-2-carboxylate is O=C(COC(=O)c1cccs1)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is MDQNADHGBSEVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S/c19-16(11-21-17(20)15-9-4-10-22-15)18-14-8-3-6-12-5-1-2-7-13(12)14/h1-10H,11H2,(H,18,19).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] thiophene-2-carboxylate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 311.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 733915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).