N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide

C18H15NO2S — CID 676067

IUPACN-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C18H15NO2S/c20-18(17-7-4-12-22-17)19-15-8-10-16(11-9-15)21-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,19,20)
InChIKeyRJZWNXSYFCYEJW-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.58
Rot. Bonds5

About N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide

N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide (PubChem CID 676067) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
PubChem CID676067
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC NameN-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C18H15NO2S/c20-18(17-7-4-12-22-17)19-15-8-10-16(11-9-15)21-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,19,20)
InChIKeyRJZWNXSYFCYEJW-UHFFFAOYSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide (CID 676067) is N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccs1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide?
The InChIKey is RJZWNXSYFCYEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c20-18(17-7-4-12-22-17)19-15-8-10-16(11-9-15)21-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,19,20).
What are the key properties of N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide?
N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 676067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).