[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylacetate

C15H14N2O4S — CID 4855055

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylacetate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)Cc1ccccc1
InChIInChI=1S/C15H14N2O4S/c16-14(20)11-6-7-22-15(11)17-12(18)9-21-13(19)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,16,20)(H,17,18)
InChIKeyOOCHSWWWZACEHQ-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.57
Rot. Bonds6

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylacetate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylacetate (PubChem CID 4855055) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylacetate
PubChem CID4855055
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylacetate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)Cc1ccccc1
InChIInChI=1S/C15H14N2O4S/c16-14(20)11-6-7-22-15(11)17-12(18)9-21-13(19)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,16,20)(H,17,18)
InChIKeyOOCHSWWWZACEHQ-UHFFFAOYSA-N
XLogP1.57
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylacetate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylacetate (CID 4855055) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylacetate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylacetate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylacetate is NC(=O)c1ccsc1NC(=O)COC(=O)Cc1ccccc1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylacetate?
The InChIKey is OOCHSWWWZACEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c16-14(20)11-6-7-22-15(11)17-12(18)9-21-13(19)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,16,20)(H,17,18).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylacetate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylacetate has a molecular weight of 318.35 g/mol, XLogP of 1.57, 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-phenylacetate is sourced from PubChem (CID 4855055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).