ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate

C17H16N2O4S — CID 53322570

IUPACethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C#N)csc1NC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C17H16N2O4S/c1-3-23-17(21)15-12(9-18)10-24-16(15)19-14(20)8-11-4-6-13(22-2)7-5-11/h4-7,10H,3,8H2,1-2H3,(H,19,20)
InChIKeyJTVHPFGRRUKYMR-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.99
Rot. Bonds6

About ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate

ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 53322570) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate
PubChem CID53322570
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Nameethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C#N)csc1NC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C17H16N2O4S/c1-3-23-17(21)15-12(9-18)10-24-16(15)19-14(20)8-11-4-6-13(22-2)7-5-11/h4-7,10H,3,8H2,1-2H3,(H,19,20)
InChIKeyJTVHPFGRRUKYMR-UHFFFAOYSA-N
XLogP2.99
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate (CID 53322570) is ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(C#N)csc1NC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is JTVHPFGRRUKYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-3-23-17(21)15-12(9-18)10-24-16(15)19-14(20)8-11-4-6-13(22-2)7-5-11/h4-7,10H,3,8H2,1-2H3,(H,19,20).
What are the key properties of ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate?
ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 344.39 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyano-2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 53322570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).