5-(2-fluoro-3-methoxyphenyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-carboxamide

C19H16FNO3S — CID 71546013

IUPAC5-(2-fluoro-3-methoxyphenyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)N(C)c3cccc(O)c3)s2)c1F
InChIInChI=1S/C19H16FNO3S/c1-21(12-5-3-6-13(22)11-12)19(23)17-10-9-16(25-17)14-7-4-8-15(24-2)18(14)20/h3-11,22H,1-2H3
InChIKeyJTIDVFUKOMFCJN-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.55
Rot. Bonds4

About 5-(2-fluoro-3-methoxyphenyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-carboxamide

5-(2-fluoro-3-methoxyphenyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-carboxamide (PubChem CID 71546013) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-(2-fluoro-3-methoxyphenyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-3-methoxyphenyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-carboxamide
PubChem CID71546013
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC Name5-(2-fluoro-3-methoxyphenyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)N(C)c3cccc(O)c3)s2)c1F
InChIInChI=1S/C19H16FNO3S/c1-21(12-5-3-6-13(22)11-12)19(23)17-10-9-16(25-17)14-7-4-8-15(24-2)18(14)20/h3-11,22H,1-2H3
InChIKeyJTIDVFUKOMFCJN-UHFFFAOYSA-N
XLogP4.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-methoxyphenyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(2-fluoro-3-methoxyphenyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-carboxamide (CID 71546013) is 5-(2-fluoro-3-methoxyphenyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(2-fluoro-3-methoxyphenyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(2-fluoro-3-methoxyphenyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-carboxamide is COc1cccc(-c2ccc(C(=O)N(C)c3cccc(O)c3)s2)c1F.
What is the InChIKey of 5-(2-fluoro-3-methoxyphenyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-carboxamide?
The InChIKey is JTIDVFUKOMFCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S/c1-21(12-5-3-6-13(22)11-12)19(23)17-10-9-16(25-17)14-7-4-8-15(24-2)18(14)20/h3-11,22H,1-2H3.
What are the key properties of 5-(2-fluoro-3-methoxyphenyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-carboxamide?
5-(2-fluoro-3-methoxyphenyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-methoxyphenyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 71546013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).