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

C16H16N2O4S — CID 2527190

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenylpropanoate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)CCc1ccccc1
InChIInChI=1S/C16H16N2O4S/c17-15(21)12-8-9-23-16(12)18-13(19)10-22-14(20)7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H2,17,21)(H,18,19)
InChIKeyVXWADCINDQLMDU-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.96
Rot. Bonds7

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

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenylpropanoate (PubChem CID 2527190) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenylpropanoate
PubChem CID2527190
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenylpropanoate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)CCc1ccccc1
InChIInChI=1S/C16H16N2O4S/c17-15(21)12-8-9-23-16(12)18-13(19)10-22-14(20)7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H2,17,21)(H,18,19)
InChIKeyVXWADCINDQLMDU-UHFFFAOYSA-N
XLogP1.96
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.96
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] 3-phenylpropanoate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenylpropanoate (CID 2527190) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenylpropanoate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenylpropanoate is NC(=O)c1ccsc1NC(=O)COC(=O)CCc1ccccc1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenylpropanoate?
The InChIKey is VXWADCINDQLMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c17-15(21)12-8-9-23-16(12)18-13(19)10-22-14(20)7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H2,17,21)(H,18,19).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenylpropanoate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenylpropanoate has a molecular weight of 332.38 g/mol, XLogP of 1.96, 7 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] 3-phenylpropanoate is sourced from PubChem (CID 2527190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).