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

C18H14F2N2O3S — CID 20594234

IUPAC4-[4-(1,1-difluoro-2-oxopropyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(C(F)(F)C(C)=O)cc3)cncc2s1
InChIInChI=1S/C18H14F2N2O3S/c1-10(23)18(19,20)11-3-5-12(6-4-11)25-14-8-22-9-16-13(14)7-15(26-16)17(24)21-2/h3-9H,1-2H3,(H,21,24)
InChIKeyKVPOTLCUKDRBEB-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.13
Rot. Bonds5

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

4-[4-(1,1-difluoro-2-oxopropyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide (PubChem CID 20594234) has the molecular formula C18H14F2N2O3S and a molecular weight of 376.38 g/mol. Its IUPAC name is 4-[4-(1,1-difluoro-2-oxopropyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(1,1-difluoro-2-oxopropyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide
PubChem CID20594234
Molecular FormulaC18H14F2N2O3S
Molecular Weight376.38 g/mol
Exact Mass376.07
IUPAC Name4-[4-(1,1-difluoro-2-oxopropyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(C(F)(F)C(C)=O)cc3)cncc2s1
InChIInChI=1S/C18H14F2N2O3S/c1-10(23)18(19,20)11-3-5-12(6-4-11)25-14-8-22-9-16-13(14)7-15(26-16)17(24)21-2/h3-9H,1-2H3,(H,21,24)
InChIKeyKVPOTLCUKDRBEB-UHFFFAOYSA-N
XLogP4.13
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(1,1-difluoro-2-hydroxyethyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 10155661
CID 157250939
CID 157250939
4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
CID 18516240
4-chloro-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 139916052
4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid
CID 11109843
4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium
CID 11069022
methyl 4-[4-(oxoboranylmethylamino)phenoxy]thieno[2,3-c]pyridine-2-carboxylate
CID 20594279
4-pyridin-3-yloxythieno[2,3-c]pyridine-2-carboxamide
CID 18516131
methyl 4-[4-[1-(trityloxymethyl)cyclopropyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate
CID 11135740
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
N-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
CID 90142340
4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid
CID 11121450

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,1-difluoro-2-oxopropyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-[4-(1,1-difluoro-2-oxopropyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide (CID 20594234) is 4-[4-(1,1-difluoro-2-oxopropyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(1,1-difluoro-2-oxopropyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(1,1-difluoro-2-oxopropyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(Oc3ccc(C(F)(F)C(C)=O)cc3)cncc2s1.
What is the InChIKey of 4-[4-(1,1-difluoro-2-oxopropyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is KVPOTLCUKDRBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3S/c1-10(23)18(19,20)11-3-5-12(6-4-11)25-14-8-22-9-16-13(14)7-15(26-16)17(24)21-2/h3-9H,1-2H3,(H,21,24).
What are the key properties of 4-[4-(1,1-difluoro-2-oxopropyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide?
4-[4-(1,1-difluoro-2-oxopropyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,1-difluoro-2-oxopropyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 20594234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).