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

C19H17NO2S — CID 2469877

IUPAC3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H17NO2S/c1-14-11-12-23-18(14)19(21)20-16-7-9-17(10-8-16)22-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,20,21)
InChIKeyQXGTZBMCOCKDTG-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.89
Rot. Bonds5

About 3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide

3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide (PubChem CID 2469877) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
PubChem CID2469877
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H17NO2S/c1-14-11-12-23-18(14)19(21)20-16-7-9-17(10-8-16)22-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,20,21)
InChIKeyQXGTZBMCOCKDTG-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide (CID 2469877) is 3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide?
The InChIKey is QXGTZBMCOCKDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-14-11-12-23-18(14)19(21)20-16-7-9-17(10-8-16)22-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,20,21).
What are the key properties of 3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide?
3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 2469877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).