N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxothieno[3,2-b]pyridine-2-carboxamide

C28H29FN2O4S — CID 146575719

About N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxothieno[3,2-b]pyridine-2-carboxamide

N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxothieno[3,2-b]pyridine-2-carboxamide (PubChem CID 146575719) has the molecular formula C28H29FN2O4S and a molecular weight of 508.62 g/mol. Its IUPAC name is N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxothieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxothieno[3,2-b]pyridine-2-carboxamide
• PubChem CID: 146575719
• Molecular Formula: C28H29FN2O4S
• Molecular Weight: 508.62 g/mol
• Exact Mass: 508.18
• IUPAC Name: N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxothieno[3,2-b]pyridine-2-carboxamide
• SMILES: CCNC(=O)c1cc2c(s1)c(=O)c(C)cn2-c1cc(C(C)(C)O)ccc1Oc1c(C)cc(F)cc1C
• InChI: InChI=1S/C28H29FN2O4S/c1-7-30-27(33)23-13-21-26(36-23)24(32)17(4)14-31(21)20-12-18(28(5,6)34)8-9-22(20)35-25-15(2)10-19(29)11-16(25)3/h8-14,34H,7H2,1-6H3,(H,30,33)
• InChIKey: CQXPTDQPFUQAMI-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 80.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.62
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxothieno[3,2-b]pyridine-2-carboxamide?

The IUPAC name of N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxothieno[3,2-b]pyridine-2-carboxamide (CID 146575719) is N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxothieno[3,2-b]pyridine-2-carboxamide.

What is the SMILES notation for N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxothieno[3,2-b]pyridine-2-carboxamide?

The canonical SMILES for N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxothieno[3,2-b]pyridine-2-carboxamide is CCNC(=O)c1cc2c(s1)c(=O)c(C)cn2-c1cc(C(C)(C)O)ccc1Oc1c(C)cc(F)cc1C.

What is the InChIKey of N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxothieno[3,2-b]pyridine-2-carboxamide?

The InChIKey is CQXPTDQPFUQAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN2O4S/c1-7-30-27(33)23-13-21-26(36-23)24(32)17(4)14-31(21)20-12-18(28(5,6)34)8-9-22(20)35-25-15(2)10-19(29)11-16(25)3/h8-14,34H,7H2,1-6H3,(H,30,33).

What are the key properties of N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxothieno[3,2-b]pyridine-2-carboxamide?

N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxothieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 508.62 g/mol, XLogP of 5.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxothieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 146575719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).