N-(2-phenoxyphenyl)thiophene-2-carboxamide

C17H13NO2S — CID 729387

IUPACN-(2-phenoxyphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1cccs1
InChIInChI=1S/C17H13NO2S/c19-17(16-11-6-12-21-16)18-14-9-4-5-10-15(14)20-13-7-2-1-3-8-13/h1-12H,(H,18,19)
InChIKeyCPGMTCLKGKOSER-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.79
Rot. Bonds4

About N-(2-phenoxyphenyl)thiophene-2-carboxamide

N-(2-phenoxyphenyl)thiophene-2-carboxamide (PubChem CID 729387) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(2-phenoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyphenyl)thiophene-2-carboxamide
PubChem CID729387
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC NameN-(2-phenoxyphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1cccs1
InChIInChI=1S/C17H13NO2S/c19-17(16-11-6-12-21-16)18-14-9-4-5-10-15(14)20-13-7-2-1-3-8-13/h1-12H,(H,18,19)
InChIKeyCPGMTCLKGKOSER-UHFFFAOYSA-N
XLogP4.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-phenoxyphenyl)thiophene-2-carboxamide (CID 729387) is N-(2-phenoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-phenoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-phenoxyphenyl)thiophene-2-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)c1cccs1.
What is the InChIKey of N-(2-phenoxyphenyl)thiophene-2-carboxamide?
The InChIKey is CPGMTCLKGKOSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S/c19-17(16-11-6-12-21-16)18-14-9-4-5-10-15(14)20-13-7-2-1-3-8-13/h1-12H,(H,18,19).
What are the key properties of N-(2-phenoxyphenyl)thiophene-2-carboxamide?
N-(2-phenoxyphenyl)thiophene-2-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 729387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).