5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1,3-oxazol-2-ylmethoxymethyl)-2-pyridinyl]amino]-2,3-dihydrothiophene-3-carboxamide

C24H25FN4O4S — CID 70911843

IUPAC5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1,3-oxazol-2-ylmethoxymethyl)-2-pyridinyl]amino]-2,3-dihydrothiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(C2=CC(C(N)=O)C(Nc3cccc(COCc4ncco4)n3)S2)c(F)c1
InChIInChI=1S/C24H25FN4O4S/c1-24(2,31)14-6-7-16(18(25)10-14)19-11-17(22(26)30)23(34-19)29-20-5-3-4-15(28-20)12-32-13-21-27-8-9-33-21/h3-11,17,23,31H,12-13H2,1-2H3,(H2,26,30)(H,28,29)
InChIKeyZWFNHROYLJBREV-UHFFFAOYSA-N
MW484.55 g/mol
LogP3.78
Rot. Bonds9

About 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1,3-oxazol-2-ylmethoxymethyl)-2-pyridinyl]amino]-2,3-dihydrothiophene-3-carboxamide

5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1,3-oxazol-2-ylmethoxymethyl)-2-pyridinyl]amino]-2,3-dihydrothiophene-3-carboxamide (PubChem CID 70911843) has the molecular formula C24H25FN4O4S and a molecular weight of 484.55 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1,3-oxazol-2-ylmethoxymethyl)-2-pyridinyl]amino]-2,3-dihydrothiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1,3-oxazol-2-ylmethoxymethyl)-2-pyridinyl]amino]-2,3-dihydrothiophene-3-carboxamide
PubChem CID70911843
Molecular FormulaC24H25FN4O4S
Molecular Weight484.55 g/mol
Exact Mass484.16
IUPAC Name5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1,3-oxazol-2-ylmethoxymethyl)-2-pyridinyl]amino]-2,3-dihydrothiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(C2=CC(C(N)=O)C(Nc3cccc(COCc4ncco4)n3)S2)c(F)c1
InChIInChI=1S/C24H25FN4O4S/c1-24(2,31)14-6-7-16(18(25)10-14)19-11-17(22(26)30)23(34-19)29-20-5-3-4-15(28-20)12-32-13-21-27-8-9-33-21/h3-11,17,23,31H,12-13H2,1-2H3,(H2,26,30)(H,28,29)
InChIKeyZWFNHROYLJBREV-UHFFFAOYSA-N
XLogP3.78
TPSA123.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1,3-oxazol-2-ylmethoxymethyl)-2-pyridinyl]amino]-2,3-dihydrothiophene-3-carboxamide?
The IUPAC name of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1,3-oxazol-2-ylmethoxymethyl)-2-pyridinyl]amino]-2,3-dihydrothiophene-3-carboxamide (CID 70911843) is 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1,3-oxazol-2-ylmethoxymethyl)-2-pyridinyl]amino]-2,3-dihydrothiophene-3-carboxamide.
What is the SMILES notation for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1,3-oxazol-2-ylmethoxymethyl)-2-pyridinyl]amino]-2,3-dihydrothiophene-3-carboxamide?
The canonical SMILES for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1,3-oxazol-2-ylmethoxymethyl)-2-pyridinyl]amino]-2,3-dihydrothiophene-3-carboxamide is CC(C)(O)c1ccc(C2=CC(C(N)=O)C(Nc3cccc(COCc4ncco4)n3)S2)c(F)c1.
What is the InChIKey of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1,3-oxazol-2-ylmethoxymethyl)-2-pyridinyl]amino]-2,3-dihydrothiophene-3-carboxamide?
The InChIKey is ZWFNHROYLJBREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4S/c1-24(2,31)14-6-7-16(18(25)10-14)19-11-17(22(26)30)23(34-19)29-20-5-3-4-15(28-20)12-32-13-21-27-8-9-33-21/h3-11,17,23,31H,12-13H2,1-2H3,(H2,26,30)(H,28,29).
What are the key properties of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1,3-oxazol-2-ylmethoxymethyl)-2-pyridinyl]amino]-2,3-dihydrothiophene-3-carboxamide?
5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1,3-oxazol-2-ylmethoxymethyl)-2-pyridinyl]amino]-2,3-dihydrothiophene-3-carboxamide has a molecular weight of 484.55 g/mol, XLogP of 3.78, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(1,3-oxazol-2-ylmethoxymethyl)-2-pyridinyl]amino]-2,3-dihydrothiophene-3-carboxamide is sourced from PubChem (CID 70911843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).