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

C20H19NO2S — CID 56934327

IUPACN-[(3-hydroxyphenyl)methyl]-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)N(C)Cc3cccc(O)c3)s2)c1
InChIInChI=1S/C20H19NO2S/c1-14-5-3-7-16(11-14)18-9-10-19(24-18)20(23)21(2)13-15-6-4-8-17(22)12-15/h3-12,22H,13H2,1-2H3
InChIKeyZZOJRUADVAFGBY-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.70
Rot. Bonds4

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

N-[(3-hydroxyphenyl)methyl]-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide (PubChem CID 56934327) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide
PubChem CID56934327
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC NameN-[(3-hydroxyphenyl)methyl]-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)N(C)Cc3cccc(O)c3)s2)c1
InChIInChI=1S/C20H19NO2S/c1-14-5-3-7-16(11-14)18-9-10-19(24-18)20(23)21(2)13-15-6-4-8-17(22)12-15/h3-12,22H,13H2,1-2H3
InChIKeyZZOJRUADVAFGBY-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide (CID 56934327) is N-[(3-hydroxyphenyl)methyl]-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide is Cc1cccc(-c2ccc(C(=O)N(C)Cc3cccc(O)c3)s2)c1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide?
The InChIKey is ZZOJRUADVAFGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-14-5-3-7-16(11-14)18-9-10-19(24-18)20(23)21(2)13-15-6-4-8-17(22)12-15/h3-12,22H,13H2,1-2H3.
What are the key properties of N-[(3-hydroxyphenyl)methyl]-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide?
N-[(3-hydroxyphenyl)methyl]-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide has a molecular weight of 337.44 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 56934327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).