N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide

C22H28N2O4S — CID 25159780

IUPACN-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESO=C(c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCOC2)N1CCOCC1
InChIInChI=1S/C22H28N2O4S/c25-20(24-2-5-27-6-3-24)18-16-1-4-28-12-17(16)29-19(18)23-21(26)22-10-13-7-14(11-22)9-15(22)8-13/h13-15H,1-12H2,(H,23,26)
InChIKeyMARHTPKNYNUSKT-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.06
Rot. Bonds3

About N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide

N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 25159780) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID25159780
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESO=C(c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCOC2)N1CCOCC1
InChIInChI=1S/C22H28N2O4S/c25-20(24-2-5-27-6-3-24)18-16-1-4-28-12-17(16)29-19(18)23-21(26)22-10-13-7-14(11-22)9-15(22)8-13/h13-15H,1-12H2,(H,23,26)
InChIKeyMARHTPKNYNUSKT-UHFFFAOYSA-N
XLogP3.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 25160840
CID 25160840
N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 25159779
N-(2-methoxyethyl)-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 25159912
N-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 25159915
2-(2-oxatricyclo[3.3.1.13,7]decane-1-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 25160046
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 68904230
2-(adamantane-1-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 68910242
2-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]benzamide
CID 71454141
N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-propan-2-ylbenzamide
CID 71455876
2-(cyclopentanecarbonylamino)-N-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 71461322
2-(adamantane-1-carbonylamino)-N-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 90654970
N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-phenylbenzamide
CID 71450522

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]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 25159780) is N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide is O=C(c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCOC2)N1CCOCC1.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is MARHTPKNYNUSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c25-20(24-2-5-27-6-3-24)18-16-1-4-28-12-17(16)29-19(18)23-21(26)22-10-13-7-14(11-22)9-15(22)8-13/h13-15H,1-12H2,(H,23,26).
What are the key properties of N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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]tricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 25159780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).