[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate

C18H12N2O3S — CID 2084659

IUPAC[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate
SMILESN#Cc1ccsc1NC(=O)COC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H12N2O3S/c19-10-15-7-8-24-17(15)20-16(21)11-23-18(22)14-6-5-12-3-1-2-4-13(12)9-14/h1-9H,11H2,(H,20,21)
InChIKeyQVAPXXNHEMGKOC-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.57
Rot. Bonds4

About [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate

[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate (PubChem CID 2084659) has the molecular formula C18H12N2O3S and a molecular weight of 336.37 g/mol. Its IUPAC name is [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate
PubChem CID2084659
Molecular FormulaC18H12N2O3S
Molecular Weight336.37 g/mol
Exact Mass336.06
IUPAC Name[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate
SMILESN#Cc1ccsc1NC(=O)COC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H12N2O3S/c19-10-15-7-8-24-17(15)20-16(21)11-23-18(22)14-6-5-12-3-1-2-4-13(12)9-14/h1-9H,11H2,(H,20,21)
InChIKeyQVAPXXNHEMGKOC-UHFFFAOYSA-N
XLogP3.57
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate 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

[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2536570
3-Methyl-benzoic acid (3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylcarbamoyl)-methyl ester
CID 1092078
Ethyl 2-[(1-naphthylcarbonyl)amino]-5-phenyl-3-thiophenecarboxylate
CID 1649385
methyl 4-[(E)-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethoxy]-3-oxoprop-1-enyl]benzoate
CID 6218006
[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-tert-butylbenzoate
CID 2240074
4-Methyl-benzoic acid (3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylcarbamoyl)-methyl ester
CID 1820000
[2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2462585
[1-[(3-Cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 16373361
Methyl 2-(2-(naphthalen-1-yl)acetamido)thiophene-3-carboxylate
CID 7164065
[1-[(3-Carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 16393830
Ethyl 2-(naphthalene-2-carbonylamino)-5-phenylthiophene-3-carboxylate
CID 134154057
Ethyl 2-[(4-cyanobenzoyl)amino]-5-phenylthiophene-3-carboxylate
CID 162671555

Frequently Asked Questions

What is the IUPAC name of [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate?
The IUPAC name of [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate (CID 2084659) is [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate.
What is the SMILES notation for [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate?
The canonical SMILES for [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate is N#Cc1ccsc1NC(=O)COC(=O)c1ccc2ccccc2c1.
What is the InChIKey of [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate?
The InChIKey is QVAPXXNHEMGKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3S/c19-10-15-7-8-24-17(15)20-16(21)11-23-18(22)14-6-5-12-3-1-2-4-13(12)9-14/h1-9H,11H2,(H,20,21).
What are the key properties of [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate?
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate has a molecular weight of 336.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate is sourced from PubChem (CID 2084659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).