2-[2-fluoro-4-(2-methoxypropan-2-yl)phenyl]-5-[[5-(1-methoxyethyl)-6-methyl-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide

C24H30FN3O3S — CID 70842671

About 2-[2-fluoro-4-(2-methoxypropan-2-yl)phenyl]-5-[[5-(1-methoxyethyl)-6-methyl-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide

2-[2-fluoro-4-(2-methoxypropan-2-yl)phenyl]-5-[[5-(1-methoxyethyl)-6-methyl-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide (PubChem CID 70842671) has the molecular formula C24H30FN3O3S and a molecular weight of 459.59 g/mol. Its IUPAC name is 2-[2-fluoro-4-(2-methoxypropan-2-yl)phenyl]-5-[[5-(1-methoxyethyl)-6-methyl-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide.

Molecular Properties

• Compound Name: 2-[2-fluoro-4-(2-methoxypropan-2-yl)phenyl]-5-[[5-(1-methoxyethyl)-6-methyl-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide
• PubChem CID: 70842671
• Molecular Formula: C24H30FN3O3S
• Molecular Weight: 459.59 g/mol
• Exact Mass: 459.20
• IUPAC Name: 2-[2-fluoro-4-(2-methoxypropan-2-yl)phenyl]-5-[[5-(1-methoxyethyl)-6-methyl-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide
• SMILES: COC(C)c1ccc(NC2=C(C(N)=O)CC(c3ccc(C(C)(C)OC)cc3F)S2)nc1C
• InChI: InChI=1S/C24H30FN3O3S/c1-13-16(14(2)30-5)9-10-21(27-13)28-23-18(22(26)29)12-20(32-23)17-8-7-15(11-19(17)25)24(3,4)31-6/h7-11,14,20H,12H2,1-6H3,(H2,26,29)(H,27,28)
• InChIKey: BHLAVIOVFQGNGA-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 86.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.59
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(2-methoxypropan-2-yl)phenyl]-5-[[5-(1-methoxyethyl)-6-methyl-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide?

The IUPAC name of 2-[2-fluoro-4-(2-methoxypropan-2-yl)phenyl]-5-[[5-(1-methoxyethyl)-6-methyl-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide (CID 70842671) is 2-[2-fluoro-4-(2-methoxypropan-2-yl)phenyl]-5-[[5-(1-methoxyethyl)-6-methyl-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide.

What is the SMILES notation for 2-[2-fluoro-4-(2-methoxypropan-2-yl)phenyl]-5-[[5-(1-methoxyethyl)-6-methyl-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide?

The canonical SMILES for 2-[2-fluoro-4-(2-methoxypropan-2-yl)phenyl]-5-[[5-(1-methoxyethyl)-6-methyl-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide is COC(C)c1ccc(NC2=C(C(N)=O)CC(c3ccc(C(C)(C)OC)cc3F)S2)nc1C.

What is the InChIKey of 2-[2-fluoro-4-(2-methoxypropan-2-yl)phenyl]-5-[[5-(1-methoxyethyl)-6-methyl-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide?

The InChIKey is BHLAVIOVFQGNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3S/c1-13-16(14(2)30-5)9-10-21(27-13)28-23-18(22(26)29)12-20(32-23)17-8-7-15(11-19(17)25)24(3,4)31-6/h7-11,14,20H,12H2,1-6H3,(H2,26,29)(H,27,28).

What are the key properties of 2-[2-fluoro-4-(2-methoxypropan-2-yl)phenyl]-5-[[5-(1-methoxyethyl)-6-methyl-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide?

2-[2-fluoro-4-(2-methoxypropan-2-yl)phenyl]-5-[[5-(1-methoxyethyl)-6-methyl-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-fluoro-4-(2-methoxypropan-2-yl)phenyl]-5-[[5-(1-methoxyethyl)-6-methyl-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide is sourced from PubChem (CID 70842671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).