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

C19H21N3O2S — CID 97072566

IUPAC2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide
SMILESCc1cccc2nc(CNC(=O)C[C@H]3OCCc4ccsc43)n(C)c12
InChIInChI=1S/C19H21N3O2S/c1-12-4-3-5-14-18(12)22(2)16(21-14)11-20-17(23)10-15-19-13(6-8-24-15)7-9-25-19/h3-5,7,9,15H,6,8,10-11H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyFFCSTZHECFTKRE-OAHLLOKOSA-N
MW355.46 g/mol
LogP3.26
Rot. Bonds4

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

2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide (PubChem CID 97072566) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide
PubChem CID97072566
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide
SMILESCc1cccc2nc(CNC(=O)C[C@H]3OCCc4ccsc43)n(C)c12
InChIInChI=1S/C19H21N3O2S/c1-12-4-3-5-14-18(12)22(2)16(21-14)11-20-17(23)10-15-19-13(6-8-24-15)7-9-25-19/h3-5,7,9,15H,6,8,10-11H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyFFCSTZHECFTKRE-OAHLLOKOSA-N
XLogP3.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 95174145
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5-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide
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CID 102556346
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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-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide (CID 97072566) is 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide is Cc1cccc2nc(CNC(=O)C[C@H]3OCCc4ccsc43)n(C)c12.
What is the InChIKey of 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide?
The InChIKey is FFCSTZHECFTKRE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-4-3-5-14-18(12)22(2)16(21-14)11-20-17(23)10-15-19-13(6-8-24-15)7-9-25-19/h3-5,7,9,15H,6,8,10-11H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide?
2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide has a molecular weight of 355.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 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-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 97072566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).