5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide

C20H19F2N3O2S — CID 25123163

IUPAC5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
SMILESCc1cccc(Nc2sc(-c3c(F)cc(C(C)CO)cc3F)cc2C(N)=O)n1
InChIInChI=1S/C20H19F2N3O2S/c1-10(9-26)12-6-14(21)18(15(22)7-12)16-8-13(19(23)27)20(28-16)25-17-5-3-4-11(2)24-17/h3-8,10,26H,9H2,1-2H3,(H2,23,27)(H,24,25)
InChIKeyXZWCULYBPFJZFQ-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.34
Rot. Bonds6

About 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide

5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide (PubChem CID 25123163) has the molecular formula C20H19F2N3O2S and a molecular weight of 403.45 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
PubChem CID25123163
Molecular FormulaC20H19F2N3O2S
Molecular Weight403.45 g/mol
Exact Mass403.12
IUPAC Name5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
SMILESCc1cccc(Nc2sc(-c3c(F)cc(C(C)CO)cc3F)cc2C(N)=O)n1
InChIInChI=1S/C20H19F2N3O2S/c1-10(9-26)12-6-14(21)18(15(22)7-12)16-8-13(19(23)27)20(28-16)25-17-5-3-4-11(2)24-17/h3-8,10,26H,9H2,1-2H3,(H2,23,27)(H,24,25)
InChIKeyXZWCULYBPFJZFQ-UHFFFAOYSA-N
XLogP4.34
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide (CID 25123163) is 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide is Cc1cccc(Nc2sc(-c3c(F)cc(C(C)CO)cc3F)cc2C(N)=O)n1.
What is the InChIKey of 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide?
The InChIKey is XZWCULYBPFJZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2S/c1-10(9-26)12-6-14(21)18(15(22)7-12)16-8-13(19(23)27)20(28-16)25-17-5-3-4-11(2)24-17/h3-8,10,26H,9H2,1-2H3,(H2,23,27)(H,24,25).
What are the key properties of 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide?
5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 4.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 25123163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).