carbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexanecarboxamide

C18H20F3N3O6S — CID 121281345

IUPACcarbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1sc2c(c1-c1nc(C(F)(F)F)no1)CCOC2)C1CCCCC1.O=C(O)O
InChIInChI=1S/C17H18F3N3O3S.CH2O3/c18-17(19,20)16-22-14(26-23-16)12-10-6-7-25-8-11(10)27-15(12)21-13(24)9-4-2-1-3-5-9;2-1(3)4/h9H,1-8H2,(H,21,24);(H2,2,3,4)
InChIKeyBILKFXDDGQXPTA-UHFFFAOYSA-N
MW463.43 g/mol
LogP4.63
Rot. Bonds3

About carbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexanecarboxamide

carbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexanecarboxamide (PubChem CID 121281345) has the molecular formula C18H20F3N3O6S and a molecular weight of 463.43 g/mol. Its IUPAC name is carbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound Namecarbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexanecarboxamide
PubChem CID121281345
Molecular FormulaC18H20F3N3O6S
Molecular Weight463.43 g/mol
Exact Mass463.10
IUPAC Namecarbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1sc2c(c1-c1nc(C(F)(F)F)no1)CCOC2)C1CCCCC1.O=C(O)O
InChIInChI=1S/C17H18F3N3O3S.CH2O3/c18-17(19,20)16-22-14(26-23-16)12-10-6-7-25-8-11(10)27-15(12)21-13(24)9-4-2-1-3-5-9;2-1(3)4/h9H,1-8H2,(H,21,24);(H2,2,3,4)
InChIKeyBILKFXDDGQXPTA-UHFFFAOYSA-N
XLogP4.63
TPSA134.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.43
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze carbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexanecarboxamide?
The IUPAC name of carbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexanecarboxamide (CID 121281345) is carbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for carbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexanecarboxamide?
The canonical SMILES for carbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexanecarboxamide is O=C(Nc1sc2c(c1-c1nc(C(F)(F)F)no1)CCOC2)C1CCCCC1.O=C(O)O.
What is the InChIKey of carbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexanecarboxamide?
The InChIKey is BILKFXDDGQXPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3S.CH2O3/c18-17(19,20)16-22-14(26-23-16)12-10-6-7-25-8-11(10)27-15(12)21-13(24)9-4-2-1-3-5-9;2-1(3)4/h9H,1-8H2,(H,21,24);(H2,2,3,4).
What are the key properties of carbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexanecarboxamide?
carbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexanecarboxamide has a molecular weight of 463.43 g/mol, XLogP of 4.63, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 121281345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).