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

C18H19N5O2S — CID 154838103

IUPAC2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[2-(5-ethyltetrazol-1-yl)phenyl]acetamide
SMILESCCc1nnnn1-c1ccccc1NC(=O)CC1OCCc2ccsc21
InChIInChI=1S/C18H19N5O2S/c1-2-16-20-21-22-23(16)14-6-4-3-5-13(14)19-17(24)11-15-18-12(7-9-25-15)8-10-26-18/h3-6,8,10,15H,2,7,9,11H2,1H3,(H,19,24)
InChIKeyMQVRGOPBFACFRO-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.93
Rot. Bonds5

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

2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[2-(5-ethyltetrazol-1-yl)phenyl]acetamide (PubChem CID 154838103) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[2-(5-ethyltetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[2-(5-ethyltetrazol-1-yl)phenyl]acetamide
PubChem CID154838103
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[2-(5-ethyltetrazol-1-yl)phenyl]acetamide
SMILESCCc1nnnn1-c1ccccc1NC(=O)CC1OCCc2ccsc21
InChIInChI=1S/C18H19N5O2S/c1-2-16-20-21-22-23(16)14-6-4-3-5-13(14)19-17(24)11-15-18-12(7-9-25-15)8-10-26-18/h3-6,8,10,15H,2,7,9,11H2,1H3,(H,19,24)
InChIKeyMQVRGOPBFACFRO-UHFFFAOYSA-N
XLogP2.93
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[2-(5-ethyltetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[2-(5-ethyltetrazol-1-yl)phenyl]acetamide (CID 154838103) is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[2-(5-ethyltetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[2-(5-ethyltetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[2-(5-ethyltetrazol-1-yl)phenyl]acetamide is CCc1nnnn1-c1ccccc1NC(=O)CC1OCCc2ccsc21.
What is the InChIKey of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[2-(5-ethyltetrazol-1-yl)phenyl]acetamide?
The InChIKey is MQVRGOPBFACFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-2-16-20-21-22-23(16)14-6-4-3-5-13(14)19-17(24)11-15-18-12(7-9-25-15)8-10-26-18/h3-6,8,10,15H,2,7,9,11H2,1H3,(H,19,24).
What are the key properties of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[2-(5-ethyltetrazol-1-yl)phenyl]acetamide?
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[2-(5-ethyltetrazol-1-yl)phenyl]acetamide has a molecular weight of 369.45 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[2-(5-ethyltetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 154838103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).