N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide

C17H25NO3S — CID 97062819

IUPACN-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide
SMILESCOCCC1(C(=O)NC[C@@H]2OCCc3sccc32)CCCC1
InChIInChI=1S/C17H25NO3S/c1-20-10-8-17(6-2-3-7-17)16(19)18-12-14-13-5-11-22-15(13)4-9-21-14/h5,11,14H,2-4,6-10,12H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyCQQFYWGWMQGYSZ-AWEZNQCLSA-N
MW323.46 g/mol
LogP3.08
Rot. Bonds6

About N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide

N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide (PubChem CID 97062819) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide
PubChem CID97062819
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC NameN-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide
SMILESCOCCC1(C(=O)NC[C@@H]2OCCc3sccc32)CCCC1
InChIInChI=1S/C17H25NO3S/c1-20-10-8-17(6-2-3-7-17)16(19)18-12-14-13-5-11-22-15(13)4-9-21-14/h5,11,14H,2-4,6-10,12H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyCQQFYWGWMQGYSZ-AWEZNQCLSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide (CID 97062819) is N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide is COCCC1(C(=O)NC[C@@H]2OCCc3sccc32)CCCC1.
What is the InChIKey of N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide?
The InChIKey is CQQFYWGWMQGYSZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-20-10-8-17(6-2-3-7-17)16(19)18-12-14-13-5-11-22-15(13)4-9-21-14/h5,11,14H,2-4,6-10,12H2,1H3,(H,18,19)/t14-/m0/s1.
What are the key properties of N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide?
N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 97062819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).