N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide

C18H18FNO2S — CID 71926286

IUPACN-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1OCCc2sccc21)C1CC1c1ccc(F)cc1
InChIInChI=1S/C18H18FNO2S/c19-12-3-1-11(2-4-12)14-9-15(14)18(21)20-10-16-13-6-8-23-17(13)5-7-22-16/h1-4,6,8,14-16H,5,7,9-10H2,(H,20,21)
InChIKeyDMXWTCNBJSXGAN-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.42
Rot. Bonds4

About N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide

N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 71926286) has the molecular formula C18H18FNO2S and a molecular weight of 331.41 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID71926286
Molecular FormulaC18H18FNO2S
Molecular Weight331.41 g/mol
Exact Mass331.10
IUPAC NameN-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1OCCc2sccc21)C1CC1c1ccc(F)cc1
InChIInChI=1S/C18H18FNO2S/c19-12-3-1-11(2-4-12)14-9-15(14)18(21)20-10-16-13-6-8-23-17(13)5-7-22-16/h1-4,6,8,14-16H,5,7,9-10H2,(H,20,21)
InChIKeyDMXWTCNBJSXGAN-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 71926286) is N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide is O=C(NCC1OCCc2sccc21)C1CC1c1ccc(F)cc1.
What is the InChIKey of N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is DMXWTCNBJSXGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2S/c19-12-3-1-11(2-4-12)14-9-15(14)18(21)20-10-16-13-6-8-23-17(13)5-7-22-16/h1-4,6,8,14-16H,5,7,9-10H2,(H,20,21).
What are the key properties of N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 331.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71926286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).