4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]-N-(pyridin-3-ylmethyl)benzamide

C30H24N2O2S — CID 18718151

IUPAC4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2cscc2-c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C30H24N2O2S/c33-30(32-18-23-9-6-16-31-17-23)25-14-12-24(13-15-25)27-20-35-21-28(27)26-10-4-5-11-29(26)34-19-22-7-2-1-3-8-22/h1-17,20-21H,18-19H2,(H,32,33)
InChIKeyBHPDFIJCECKZJR-UHFFFAOYSA-N
MW476.60 g/mol
LogP6.99
Rot. Bonds8

About 4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]-N-(pyridin-3-ylmethyl)benzamide

4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 18718151) has the molecular formula C30H24N2O2S and a molecular weight of 476.60 g/mol. Its IUPAC name is 4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID18718151
Molecular FormulaC30H24N2O2S
Molecular Weight476.60 g/mol
Exact Mass476.16
IUPAC Name4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2cscc2-c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C30H24N2O2S/c33-30(32-18-23-9-6-16-31-17-23)25-14-12-24(13-15-25)27-20-35-21-28(27)26-10-4-5-11-29(26)34-19-22-7-2-1-3-8-22/h1-17,20-21H,18-19H2,(H,32,33)
InChIKeyBHPDFIJCECKZJR-UHFFFAOYSA-N
XLogP6.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.60
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]-N-(pyridin-3-ylmethyl)benzamide (CID 18718151) is 4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccc(-c2cscc2-c2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of 4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is BHPDFIJCECKZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O2S/c33-30(32-18-23-9-6-16-31-17-23)25-14-12-24(13-15-25)27-20-35-21-28(27)26-10-4-5-11-29(26)34-19-22-7-2-1-3-8-22/h1-17,20-21H,18-19H2,(H,32,33).
What are the key properties of 4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]-N-(pyridin-3-ylmethyl)benzamide?
4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 476.60 g/mol, XLogP of 6.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-phenylmethoxyphenyl)thiophen-3-yl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 18718151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).