4-(2-chlorophenoxy)-N-(1-hydroxypropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide

C17H15ClN2O3S — CID 70158709

IUPAC4-(2-chlorophenoxy)-N-(1-hydroxypropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide
SMILESCC(CO)NC(=O)c1cc2c(Oc3ccccc3Cl)cncc2s1
InChIInChI=1S/C17H15ClN2O3S/c1-10(9-21)20-17(22)15-6-11-14(7-19-8-16(11)24-15)23-13-5-3-2-4-12(13)18/h2-8,10,21H,9H2,1H3,(H,20,22)
InChIKeyOFFZEELOVYXBGM-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.85
Rot. Bonds5

About 4-(2-chlorophenoxy)-N-(1-hydroxypropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide

4-(2-chlorophenoxy)-N-(1-hydroxypropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 70158709) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-(1-hydroxypropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-(1-hydroxypropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID70158709
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name4-(2-chlorophenoxy)-N-(1-hydroxypropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide
SMILESCC(CO)NC(=O)c1cc2c(Oc3ccccc3Cl)cncc2s1
InChIInChI=1S/C17H15ClN2O3S/c1-10(9-21)20-17(22)15-6-11-14(7-19-8-16(11)24-15)23-13-5-3-2-4-12(13)18/h2-8,10,21H,9H2,1H3,(H,20,22)
InChIKeyOFFZEELOVYXBGM-UHFFFAOYSA-N
XLogP3.85
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-(1-hydroxypropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-(1-hydroxypropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide (CID 70158709) is 4-(2-chlorophenoxy)-N-(1-hydroxypropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-(1-hydroxypropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-(1-hydroxypropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide is CC(CO)NC(=O)c1cc2c(Oc3ccccc3Cl)cncc2s1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-(1-hydroxypropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is OFFZEELOVYXBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-10(9-21)20-17(22)15-6-11-14(7-19-8-16(11)24-15)23-13-5-3-2-4-12(13)18/h2-8,10,21H,9H2,1H3,(H,20,22).
What are the key properties of 4-(2-chlorophenoxy)-N-(1-hydroxypropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide?
4-(2-chlorophenoxy)-N-(1-hydroxypropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 362.84 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-(1-hydroxypropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 70158709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).