[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate

C19H16N2O4S — CID 2536570

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C19H16N2O4S/c20-18(24)15-8-9-26-19(15)21-16(22)11-25-17(23)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-9H,10-11H2,(H2,20,24)(H,21,22)
InChIKeyQLTMZWGLVHFRFA-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.72
Rot. Bonds6

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate (PubChem CID 2536570) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
PubChem CID2536570
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C19H16N2O4S/c20-18(24)15-8-9-26-19(15)21-16(22)11-25-17(23)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-9H,10-11H2,(H2,20,24)(H,21,22)
InChIKeyQLTMZWGLVHFRFA-UHFFFAOYSA-N
XLogP2.72
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 16393830
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CID 134154057
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CID 2098235
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CID 2411809
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Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate (CID 2536570) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate is NC(=O)c1ccsc1NC(=O)COC(=O)Cc1cccc2ccccc12.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate?
The InChIKey is QLTMZWGLVHFRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c20-18(24)15-8-9-26-19(15)21-16(22)11-25-17(23)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-9H,10-11H2,(H2,20,24)(H,21,22).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate has a molecular weight of 368.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate is sourced from PubChem (CID 2536570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).