N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-3-(trifluoromethoxy)benzamide

C20H19F3N2O5S — CID 71463045

IUPACN-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCOC2)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H19F3N2O5S/c21-20(22,23)30-13-3-1-2-12(10-13)17(26)24-18-16(14-4-7-29-11-15(14)31-18)19(27)25-5-8-28-9-6-25/h1-3,10H,4-9,11H2,(H,24,26)
InChIKeyCBQSIPVLKFOABM-UHFFFAOYSA-N
MW456.44 g/mol
LogP3.44
Rot. Bonds4

About N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-3-(trifluoromethoxy)benzamide

N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-3-(trifluoromethoxy)benzamide (PubChem CID 71463045) has the molecular formula C20H19F3N2O5S and a molecular weight of 456.44 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-3-(trifluoromethoxy)benzamide
PubChem CID71463045
Molecular FormulaC20H19F3N2O5S
Molecular Weight456.44 g/mol
Exact Mass456.10
IUPAC NameN-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCOC2)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H19F3N2O5S/c21-20(22,23)30-13-3-1-2-12(10-13)17(26)24-18-16(14-4-7-29-11-15(14)31-18)19(27)25-5-8-28-9-6-25/h1-3,10H,4-9,11H2,(H,24,26)
InChIKeyCBQSIPVLKFOABM-UHFFFAOYSA-N
XLogP3.44
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-3-(trifluoromethoxy)benzamide (CID 71463045) is N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-3-(trifluoromethoxy)benzamide is O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCOC2)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-3-(trifluoromethoxy)benzamide?
The InChIKey is CBQSIPVLKFOABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O5S/c21-20(22,23)30-13-3-1-2-12(10-13)17(26)24-18-16(14-4-7-29-11-15(14)31-18)19(27)25-5-8-28-9-6-25/h1-3,10H,4-9,11H2,(H,24,26).
What are the key properties of N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-3-(trifluoromethoxy)benzamide?
N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-3-(trifluoromethoxy)benzamide has a molecular weight of 456.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 71463045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).