2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide

C22H24N2O3S — CID 97185208

IUPAC2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide
SMILESCN(CCCc1cc(-c2ccccc2)no1)C(=O)C[C@H]1OCCc2ccsc21
InChIInChI=1S/C22H24N2O3S/c1-24(21(25)15-20-22-17(9-12-26-20)10-13-28-22)11-5-8-18-14-19(23-27-18)16-6-3-2-4-7-16/h2-4,6-7,10,13-14,20H,5,8-9,11-12,15H2,1H3/t20-/m1/s1
InChIKeyYDHRSWYRPSCPJM-HXUWFJFHSA-N
MW396.51 g/mol
LogP4.50
Rot. Bonds7

About 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide

2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide (PubChem CID 97185208) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide
PubChem CID97185208
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide
SMILESCN(CCCc1cc(-c2ccccc2)no1)C(=O)C[C@H]1OCCc2ccsc21
InChIInChI=1S/C22H24N2O3S/c1-24(21(25)15-20-22-17(9-12-26-20)10-13-28-22)11-5-8-18-14-19(23-27-18)16-6-3-2-4-7-16/h2-4,6-7,10,13-14,20H,5,8-9,11-12,15H2,1H3/t20-/m1/s1
InChIKeyYDHRSWYRPSCPJM-HXUWFJFHSA-N
XLogP4.50
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide?
The IUPAC name of 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide (CID 97185208) is 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide is CN(CCCc1cc(-c2ccccc2)no1)C(=O)C[C@H]1OCCc2ccsc21.
What is the InChIKey of 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide?
The InChIKey is YDHRSWYRPSCPJM-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-24(21(25)15-20-22-17(9-12-26-20)10-13-28-22)11-5-8-18-14-19(23-27-18)16-6-3-2-4-7-16/h2-4,6-7,10,13-14,20H,5,8-9,11-12,15H2,1H3/t20-/m1/s1.
What are the key properties of 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide?
2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide has a molecular weight of 396.51 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide is sourced from PubChem (CID 97185208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).