ethyl 5-phenyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate

C20H18N2O3S — CID 4054874

IUPACethyl 5-phenyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C20H18N2O3S/c1-2-25-19(23)18-16(13-17(26-18)14-9-5-3-6-10-14)22-20(24)21-15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H2,21,22,24)
InChIKeyVPSVJLJRICXYCN-UHFFFAOYSA-N
MW366.44 g/mol
LogP5.24
Rot. Bonds5

About ethyl 5-phenyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate

ethyl 5-phenyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate (PubChem CID 4054874) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is ethyl 5-phenyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate
PubChem CID4054874
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Nameethyl 5-phenyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C20H18N2O3S/c1-2-25-19(23)18-16(13-17(26-18)14-9-5-3-6-10-14)22-20(24)21-15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H2,21,22,24)
InChIKeyVPSVJLJRICXYCN-UHFFFAOYSA-N
XLogP5.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.44
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate?
The IUPAC name of ethyl 5-phenyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate (CID 4054874) is ethyl 5-phenyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-phenyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-phenyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Nc1ccccc1.
What is the InChIKey of ethyl 5-phenyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate?
The InChIKey is VPSVJLJRICXYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-2-25-19(23)18-16(13-17(26-18)14-9-5-3-6-10-14)22-20(24)21-15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H2,21,22,24).
What are the key properties of ethyl 5-phenyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate?
ethyl 5-phenyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate has a molecular weight of 366.44 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate is sourced from PubChem (CID 4054874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).