N-(2-methoxy-5-phenylphenyl)thiophene-2-carboxamide

C18H15NO2S — CID 1109361

IUPACN-(2-methoxy-5-phenylphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccccc2)cc1NC(=O)c1cccs1
InChIInChI=1S/C18H15NO2S/c1-21-16-10-9-14(13-6-3-2-4-7-13)12-15(16)19-18(20)17-8-5-11-22-17/h2-12H,1H3,(H,19,20)
InChIKeyXIQVFMHGZHWKNA-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.68
Rot. Bonds4

About N-(2-methoxy-5-phenylphenyl)thiophene-2-carboxamide

N-(2-methoxy-5-phenylphenyl)thiophene-2-carboxamide (PubChem CID 1109361) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(2-methoxy-5-phenylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-phenylphenyl)thiophene-2-carboxamide
PubChem CID1109361
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC NameN-(2-methoxy-5-phenylphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccccc2)cc1NC(=O)c1cccs1
InChIInChI=1S/C18H15NO2S/c1-21-16-10-9-14(13-6-3-2-4-7-13)12-15(16)19-18(20)17-8-5-11-22-17/h2-12H,1H3,(H,19,20)
InChIKeyXIQVFMHGZHWKNA-UHFFFAOYSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-phenylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-phenylphenyl)thiophene-2-carboxamide (CID 1109361) is N-(2-methoxy-5-phenylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-phenylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-phenylphenyl)thiophene-2-carboxamide is COc1ccc(-c2ccccc2)cc1NC(=O)c1cccs1.
What is the InChIKey of N-(2-methoxy-5-phenylphenyl)thiophene-2-carboxamide?
The InChIKey is XIQVFMHGZHWKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c1-21-16-10-9-14(13-6-3-2-4-7-13)12-15(16)19-18(20)17-8-5-11-22-17/h2-12H,1H3,(H,19,20).
What are the key properties of N-(2-methoxy-5-phenylphenyl)thiophene-2-carboxamide?
N-(2-methoxy-5-phenylphenyl)thiophene-2-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-phenylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 1109361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).