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

C20H21N3O3S2 — CID 86266922

IUPACN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCc1noc(-c2c(NC(=O)C3(c4cccs4)CCCC3)sc3c2CCOC3)n1
InChIInChI=1S/C20H21N3O3S2/c1-12-21-17(26-23-12)16-13-6-9-25-11-14(13)28-18(16)22-19(24)20(7-2-3-8-20)15-5-4-10-27-15/h4-5,10H,2-3,6-9,11H2,1H3,(H,22,24)
InChIKeyLSJXTHBQXDHUQV-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.69
Rot. Bonds4

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

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 86266922) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID86266922
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCc1noc(-c2c(NC(=O)C3(c4cccs4)CCCC3)sc3c2CCOC3)n1
InChIInChI=1S/C20H21N3O3S2/c1-12-21-17(26-23-12)16-13-6-9-25-11-14(13)28-18(16)22-19(24)20(7-2-3-8-20)15-5-4-10-27-15/h4-5,10H,2-3,6-9,11H2,1H3,(H,22,24)
InChIKeyLSJXTHBQXDHUQV-UHFFFAOYSA-N
XLogP4.69
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide with MolForge

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Related Compounds

2-[3-(3-Methyl-[1,2,4]oxadiazol-5-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-2-ylcarbamoyl]-cyclohex-1-enecarboxylic acid
CID 72734396
2-[3-(3-Methyl-[1,2,4]oxadiazol-5-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-2-ylcarbamoyl]-cyclopent-1-enecarboxylic acid
CID 72734420
US9604977, Example 119
CID 72734422
2-[3-(3-Isopropyl-[1,2,4]oxadiazol-5-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-2-ylcarbamoyl]-cyclopent-1-enecarboxylic acid
CID 72734639
2-((4-fluorophenyl)thio)-N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)acetamide
CID 86266918
2-{3-[3-(2-Methoxy-ethyl)-[1,2,4]oxadiazol-5-yl]-4,7-dihydro-5H-thieno[2,3-c]pyran-2-ylcarbamoyl}-cyclohex-1-enecarboxylic acid
CID 118158743
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H,5H,7H-thieno[2,3-c]pyran-2-yl]-2-(trifluoromethyl)benzamide
CID 86266911
carbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclopentene-1-carboxamide
CID 121281464
2-formyl-N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclopentene-1-carboxamide
CID 145685297
2-fluoro-N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)benzamide
CID 92111988
3-fluoro-N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)benzamide
CID 92111989
4-fluoro-N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)benzamide
CID 92111990

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 86266922) is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide is Cc1noc(-c2c(NC(=O)C3(c4cccs4)CCCC3)sc3c2CCOC3)n1.
What is the InChIKey of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is LSJXTHBQXDHUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-12-21-17(26-23-12)16-13-6-9-25-11-14(13)28-18(16)22-19(24)20(7-2-3-8-20)15-5-4-10-27-15/h4-5,10H,2-3,6-9,11H2,1H3,(H,22,24).
What are the key properties of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 86266922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).