2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]propanamide

C20H20ClN3O4S — CID 86266912

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]propanamide
SMILESCc1noc(-c2c(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc3c2CCOC3)n1
InChIInChI=1S/C20H20ClN3O4S/c1-11-22-17(28-24-11)16-14-8-9-26-10-15(14)29-18(16)23-19(25)20(2,3)27-13-6-4-12(21)5-7-13/h4-7H,8-10H2,1-3H3,(H,23,25)
InChIKeyWPQUXVAVQMIUHW-UHFFFAOYSA-N
MW433.92 g/mol
LogP4.63
Rot. Bonds5

About 2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]propanamide (PubChem CID 86266912) has the molecular formula C20H20ClN3O4S and a molecular weight of 433.92 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]propanamide
PubChem CID86266912
Molecular FormulaC20H20ClN3O4S
Molecular Weight433.92 g/mol
Exact Mass433.09
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]propanamide
SMILESCc1noc(-c2c(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc3c2CCOC3)n1
InChIInChI=1S/C20H20ClN3O4S/c1-11-22-17(28-24-11)16-14-8-9-26-10-15(14)29-18(16)23-19(25)20(2,3)27-13-6-4-12(21)5-7-13/h4-7H,8-10H2,1-3H3,(H,23,25)
InChIKeyWPQUXVAVQMIUHW-UHFFFAOYSA-N
XLogP4.63
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]propanamide (CID 86266912) is 2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]propanamide is Cc1noc(-c2c(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc3c2CCOC3)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]propanamide?
The InChIKey is WPQUXVAVQMIUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4S/c1-11-22-17(28-24-11)16-14-8-9-26-10-15(14)29-18(16)23-19(25)20(2,3)27-13-6-4-12(21)5-7-13/h4-7H,8-10H2,1-3H3,(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]propanamide has a molecular weight of 433.92 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]propanamide is sourced from PubChem (CID 86266912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).