2-(adamantane-1-carbonylamino)-N-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

C21H28N2O3S — CID 90654970

IUPAC2-(adamantane-1-carbonylamino)-N-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCCNC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCOC2
InChIInChI=1S/C21H28N2O3S/c1-2-22-18(24)17-15-3-4-26-11-16(15)27-19(17)23-20(25)21-8-12-5-13(9-21)7-14(6-12)10-21/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyLMWLNSZOJQLZKJ-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.73
Rot. Bonds4

About 2-(adamantane-1-carbonylamino)-N-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

2-(adamantane-1-carbonylamino)-N-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (PubChem CID 90654970) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 2-(adamantane-1-carbonylamino)-N-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.

Molecular Properties

Compound Name2-(adamantane-1-carbonylamino)-N-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
PubChem CID90654970
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name2-(adamantane-1-carbonylamino)-N-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCCNC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCOC2
InChIInChI=1S/C21H28N2O3S/c1-2-22-18(24)17-15-3-4-26-11-16(15)27-19(17)23-20(25)21-8-12-5-13(9-21)7-14(6-12)10-21/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyLMWLNSZOJQLZKJ-UHFFFAOYSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(adamantane-1-carbonylamino)-N-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide 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 2-(adamantane-1-carbonylamino)-N-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The IUPAC name of 2-(adamantane-1-carbonylamino)-N-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (CID 90654970) is 2-(adamantane-1-carbonylamino)-N-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.
What is the SMILES notation for 2-(adamantane-1-carbonylamino)-N-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The canonical SMILES for 2-(adamantane-1-carbonylamino)-N-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is CCNC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCOC2.
What is the InChIKey of 2-(adamantane-1-carbonylamino)-N-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The InChIKey is LMWLNSZOJQLZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-2-22-18(24)17-15-3-4-26-11-16(15)27-19(17)23-20(25)21-8-12-5-13(9-21)7-14(6-12)10-21/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-(adamantane-1-carbonylamino)-N-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
2-(adamantane-1-carbonylamino)-N-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide has a molecular weight of 388.53 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(adamantane-1-carbonylamino)-N-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is sourced from PubChem (CID 90654970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).