4-[4-(1,1-difluoro-2-hydroxyethyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide

C17H14F2N2O3S — CID 10155661

IUPAC4-[4-(1,1-difluoro-2-hydroxyethyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(C(F)(F)CO)cc3)cncc2s1
InChIInChI=1S/C17H14F2N2O3S/c1-20-16(23)14-6-12-13(7-21-8-15(12)25-14)24-11-4-2-10(3-5-11)17(18,19)9-22/h2-8,22H,9H2,1H3,(H,20,23)
InChIKeyGIXDQSVCWHRYGO-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.53
Rot. Bonds5

About 4-[4-(1,1-difluoro-2-hydroxyethyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide

4-[4-(1,1-difluoro-2-hydroxyethyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide (PubChem CID 10155661) has the molecular formula C17H14F2N2O3S and a molecular weight of 364.37 g/mol. Its IUPAC name is 4-[4-(1,1-difluoro-2-hydroxyethyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(1,1-difluoro-2-hydroxyethyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide
PubChem CID10155661
Molecular FormulaC17H14F2N2O3S
Molecular Weight364.37 g/mol
Exact Mass364.07
IUPAC Name4-[4-(1,1-difluoro-2-hydroxyethyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(C(F)(F)CO)cc3)cncc2s1
InChIInChI=1S/C17H14F2N2O3S/c1-20-16(23)14-6-12-13(7-21-8-15(12)25-14)24-11-4-2-10(3-5-11)17(18,19)9-22/h2-8,22H,9H2,1H3,(H,20,23)
InChIKeyGIXDQSVCWHRYGO-UHFFFAOYSA-N
XLogP3.53
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(1,1-difluoro-2-oxopropyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 20594234
CID 157250939
CID 157250939
4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid
CID 11109843
4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
CID 18516240
actinium;4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide;methyl 4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate;methyl 4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylate
CID 158085064
4-chloro-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 139916052
4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium
CID 11069022
methyl 4-[4-[1-(trityloxymethyl)cyclopropyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate
CID 11135740
4-pyridin-3-yloxythieno[2,3-c]pyridine-2-carboxamide
CID 18516131
tert-butyl N-[4-(4-methylphenoxy)thieno[2,3-c]pyridin-2-yl]carbamate
CID 143138189
[4-(4-chlorophenoxy)-2-(methylcarbamoyl)thieno[2,3-c]pyridin-6-ium-6-yl]methyl 2,2-dimethylpropanoate
CID 18516241
N-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
CID 90142340

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,1-difluoro-2-hydroxyethyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-[4-(1,1-difluoro-2-hydroxyethyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide (CID 10155661) is 4-[4-(1,1-difluoro-2-hydroxyethyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(1,1-difluoro-2-hydroxyethyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(1,1-difluoro-2-hydroxyethyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(Oc3ccc(C(F)(F)CO)cc3)cncc2s1.
What is the InChIKey of 4-[4-(1,1-difluoro-2-hydroxyethyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is GIXDQSVCWHRYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3S/c1-20-16(23)14-6-12-13(7-21-8-15(12)25-14)24-11-4-2-10(3-5-11)17(18,19)9-22/h2-8,22H,9H2,1H3,(H,20,23).
What are the key properties of 4-[4-(1,1-difluoro-2-hydroxyethyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide?
4-[4-(1,1-difluoro-2-hydroxyethyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,1-difluoro-2-hydroxyethyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 10155661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).