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

C20H26N2O3S — CID 25159915

IUPACN-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCOC2
InChIInChI=1S/C20H26N2O3S/c1-2-21-17(23)16-14-3-4-25-10-15(14)26-18(16)22-19(24)20-8-11-5-12(9-20)7-13(20)6-11/h11-13H,2-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyOENRDPZAKUHRRQ-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.34
Rot. Bonds4

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

N-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (PubChem CID 25159915) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
PubChem CID25159915
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCOC2
InChIInChI=1S/C20H26N2O3S/c1-2-21-17(23)16-14-3-4-25-10-15(14)26-18(16)22-19(24)20-8-11-5-12(9-20)7-13(20)6-11/h11-13H,2-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyOENRDPZAKUHRRQ-UHFFFAOYSA-N
XLogP3.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 25160840
CID 25160840
N-propyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 68909935
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-[3-(morpholin-4-ylcarbonyl)-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]hexahydro-2,5-methanopentalene-3a(1H)-carboxamide
CID 25159780
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
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
6-methyl-N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 68908342
N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 68908346
2-(adamantane-1-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 68910242
2-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 71450520
2-(cyclopentanecarbonylamino)-N-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 71461322

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The IUPAC name of 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) is N-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.
What is the SMILES notation for N-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The canonical SMILES for N-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is CCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCOC2.
What is the InChIKey of N-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The InChIKey is OENRDPZAKUHRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-2-21-17(23)16-14-3-4-25-10-15(14)26-18(16)22-19(24)20-8-11-5-12(9-20)7-13(20)6-11/h11-13H,2-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
N-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is sourced from PubChem (CID 25159915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).