2-(bicyclo[2.2.1]heptane-2-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

C19H26N2O3S — CID 68904230

IUPAC2-(bicyclo[2.2.1]heptane-2-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)C2CC3CCC2C3)sc2c1CCOC2
InChIInChI=1S/C19H26N2O3S/c1-2-6-20-18(23)16-13-5-7-24-10-15(13)25-19(16)21-17(22)14-9-11-3-4-12(14)8-11/h11-12,14H,2-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyKJXQJKGIDTXDBB-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.34
Rot. Bonds5

About 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

2-(bicyclo[2.2.1]heptane-2-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (PubChem CID 68904230) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.

Molecular Properties

Compound Name2-(bicyclo[2.2.1]heptane-2-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
PubChem CID68904230
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name2-(bicyclo[2.2.1]heptane-2-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)C2CC3CCC2C3)sc2c1CCOC2
InChIInChI=1S/C19H26N2O3S/c1-2-6-20-18(23)16-13-5-7-24-10-15(13)25-19(16)21-17(22)14-9-11-3-4-12(14)8-11/h11-12,14H,2-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyKJXQJKGIDTXDBB-UHFFFAOYSA-N
XLogP3.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The IUPAC name of 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (CID 68904230) is 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.
What is the SMILES notation for 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The canonical SMILES for 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is CCCNC(=O)c1c(NC(=O)C2CC3CCC2C3)sc2c1CCOC2.
What is the InChIKey of 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The InChIKey is KJXQJKGIDTXDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-2-6-20-18(23)16-13-5-7-24-10-15(13)25-19(16)21-17(22)14-9-11-3-4-12(14)8-11/h11-12,14H,2-10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is sourced from PubChem (CID 68904230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).