[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate

C16H14N2O4S — CID 7852937

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H14N2O4S/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/h1-9H,10H2,(H2,17,21)(H,18,19)/b7-6+
InChIKeyLGOFKVFBJIRDTF-VOTSOKGWSA-N
MW330.37 g/mol
LogP2.04
Rot. Bonds6

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate (PubChem CID 7852937) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
PubChem CID7852937
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H14N2O4S/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/h1-9H,10H2,(H2,17,21)(H,18,19)/b7-6+
InChIKeyLGOFKVFBJIRDTF-VOTSOKGWSA-N
XLogP2.04
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate (CID 7852937) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate is NC(=O)c1ccsc1NC(=O)COC(=O)/C=C/c1ccccc1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate?
The InChIKey is LGOFKVFBJIRDTF-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H14N2O4S/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/h1-9H,10H2,(H2,17,21)(H,18,19)/b7-6+.
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate has a molecular weight of 330.37 g/mol, XLogP of 2.04, 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] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 7852937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).