[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate

C19H24N2O4S — CID 4884459

IUPAC[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N2O4S/c22-16(10-25-17(23)6-12-1-2-26-11-12)20-18(24)21-19-7-13-3-14(8-19)5-15(4-13)9-19/h1-2,11,13-15H,3-10H2,(H2,20,21,22,24)
InChIKeyOHWKVTNDQMCLSR-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.63
Rot. Bonds5

About [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate

[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 4884459) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID4884459
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N2O4S/c22-16(10-25-17(23)6-12-1-2-26-11-12)20-18(24)21-19-7-13-3-14(8-19)5-15(4-13)9-19/h1-2,11,13-15H,3-10H2,(H2,20,21,22,24)
InChIKeyOHWKVTNDQMCLSR-UHFFFAOYSA-N
XLogP2.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 4884459) is [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate is O=C(COC(=O)Cc1ccsc1)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is OHWKVTNDQMCLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c22-16(10-25-17(23)6-12-1-2-26-11-12)20-18(24)21-19-7-13-3-14(8-19)5-15(4-13)9-19/h1-2,11,13-15H,3-10H2,(H2,20,21,22,24).
What are the key properties of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 376.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 4884459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).