5-[3-(hydroxymethyl)phenyl]-N-methyl-N-(3-methylphenyl)thiophene-2-carboxamide

C20H19NO2S — CID 118716547

IUPAC5-[3-(hydroxymethyl)phenyl]-N-methyl-N-(3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(N(C)C(=O)c2ccc(-c3cccc(CO)c3)s2)c1
InChIInChI=1S/C20H19NO2S/c1-14-5-3-8-17(11-14)21(2)20(23)19-10-9-18(24-19)16-7-4-6-15(12-16)13-22/h3-12,22H,13H2,1-2H3
InChIKeyXMQWIVAUQNVYIT-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.49
Rot. Bonds4

About 5-[3-(hydroxymethyl)phenyl]-N-methyl-N-(3-methylphenyl)thiophene-2-carboxamide

5-[3-(hydroxymethyl)phenyl]-N-methyl-N-(3-methylphenyl)thiophene-2-carboxamide (PubChem CID 118716547) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 5-[3-(hydroxymethyl)phenyl]-N-methyl-N-(3-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[3-(hydroxymethyl)phenyl]-N-methyl-N-(3-methylphenyl)thiophene-2-carboxamide
PubChem CID118716547
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name5-[3-(hydroxymethyl)phenyl]-N-methyl-N-(3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(N(C)C(=O)c2ccc(-c3cccc(CO)c3)s2)c1
InChIInChI=1S/C20H19NO2S/c1-14-5-3-8-17(11-14)21(2)20(23)19-10-9-18(24-19)16-7-4-6-15(12-16)13-22/h3-12,22H,13H2,1-2H3
InChIKeyXMQWIVAUQNVYIT-UHFFFAOYSA-N
XLogP4.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(hydroxymethyl)phenyl]-N-methyl-N-(3-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-[3-(hydroxymethyl)phenyl]-N-methyl-N-(3-methylphenyl)thiophene-2-carboxamide (CID 118716547) is 5-[3-(hydroxymethyl)phenyl]-N-methyl-N-(3-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[3-(hydroxymethyl)phenyl]-N-methyl-N-(3-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[3-(hydroxymethyl)phenyl]-N-methyl-N-(3-methylphenyl)thiophene-2-carboxamide is Cc1cccc(N(C)C(=O)c2ccc(-c3cccc(CO)c3)s2)c1.
What is the InChIKey of 5-[3-(hydroxymethyl)phenyl]-N-methyl-N-(3-methylphenyl)thiophene-2-carboxamide?
The InChIKey is XMQWIVAUQNVYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-14-5-3-8-17(11-14)21(2)20(23)19-10-9-18(24-19)16-7-4-6-15(12-16)13-22/h3-12,22H,13H2,1-2H3.
What are the key properties of 5-[3-(hydroxymethyl)phenyl]-N-methyl-N-(3-methylphenyl)thiophene-2-carboxamide?
5-[3-(hydroxymethyl)phenyl]-N-methyl-N-(3-methylphenyl)thiophene-2-carboxamide has a molecular weight of 337.44 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(hydroxymethyl)phenyl]-N-methyl-N-(3-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 118716547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).