5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-3-carboxamide

C19H17NO3S — CID 90645099

IUPAC5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-3-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1csc(-c2cccc(O)c2)c1
InChIInChI=1S/C19H17NO3S/c1-20(11-13-4-2-6-16(21)8-13)19(23)15-10-18(24-12-15)14-5-3-7-17(22)9-14/h2-10,12,21-22H,11H2,1H3
InChIKeyHWCMHTPMOIPZTN-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.10
Rot. Bonds4

About 5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-3-carboxamide

5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-3-carboxamide (PubChem CID 90645099) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-3-carboxamide
PubChem CID90645099
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-3-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1csc(-c2cccc(O)c2)c1
InChIInChI=1S/C19H17NO3S/c1-20(11-13-4-2-6-16(21)8-13)19(23)15-10-18(24-12-15)14-5-3-7-17(22)9-14/h2-10,12,21-22H,11H2,1H3
InChIKeyHWCMHTPMOIPZTN-UHFFFAOYSA-N
XLogP4.10
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of 5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-3-carboxamide (CID 90645099) is 5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-3-carboxamide is CN(Cc1cccc(O)c1)C(=O)c1csc(-c2cccc(O)c2)c1.
What is the InChIKey of 5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-3-carboxamide?
The InChIKey is HWCMHTPMOIPZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-20(11-13-4-2-6-16(21)8-13)19(23)15-10-18(24-12-15)14-5-3-7-17(22)9-14/h2-10,12,21-22H,11H2,1H3.
What are the key properties of 5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-3-carboxamide?
5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 90645099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).