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

C16H16N2O5S — CID 2603958

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)CCOc1ccccc1
InChIInChI=1S/C16H16N2O5S/c17-15(21)12-7-9-24-16(12)18-13(19)10-23-14(20)6-8-22-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2,(H2,17,21)(H,18,19)
InChIKeySRBAZDLSAHEJFJ-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.80
Rot. Bonds8

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

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate (PubChem CID 2603958) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate
PubChem CID2603958
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)CCOc1ccccc1
InChIInChI=1S/C16H16N2O5S/c17-15(21)12-7-9-24-16(12)18-13(19)10-23-14(20)6-8-22-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2,(H2,17,21)(H,18,19)
InChIKeySRBAZDLSAHEJFJ-UHFFFAOYSA-N
XLogP1.80
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate (CID 2603958) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate is NC(=O)c1ccsc1NC(=O)COC(=O)CCOc1ccccc1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate?
The InChIKey is SRBAZDLSAHEJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c17-15(21)12-7-9-24-16(12)18-13(19)10-23-14(20)6-8-22-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2,(H2,17,21)(H,18,19).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate has a molecular weight of 348.38 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate is sourced from PubChem (CID 2603958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).