2-(cyclopentanecarbonylamino)-N-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

C17H24N2O4S — CID 71461322

IUPAC2-(cyclopentanecarbonylamino)-N-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCOCCNC(=O)c1c(NC(=O)C2CCCC2)sc2c1CCOC2
InChIInChI=1S/C17H24N2O4S/c1-22-9-7-18-16(21)14-12-6-8-23-10-13(12)24-17(14)19-15(20)11-4-2-3-5-11/h11H,2-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyNZGMJUKSXBJUBW-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.33
Rot. Bonds6

About 2-(cyclopentanecarbonylamino)-N-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

2-(cyclopentanecarbonylamino)-N-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (PubChem CID 71461322) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(cyclopentanecarbonylamino)-N-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopentanecarbonylamino)-N-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
PubChem CID71461322
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name2-(cyclopentanecarbonylamino)-N-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCOCCNC(=O)c1c(NC(=O)C2CCCC2)sc2c1CCOC2
InChIInChI=1S/C17H24N2O4S/c1-22-9-7-18-16(21)14-12-6-8-23-10-13(12)24-17(14)19-15(20)11-4-2-3-5-11/h11H,2-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyNZGMJUKSXBJUBW-UHFFFAOYSA-N
XLogP2.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 68909935
2-Acetylamino-4-methyl-5-(morpholine-4-carbonyl)-thiophene-3-carboxylic acid methyl ester
CID 829075
Methyl 2-(3-morpholinopropanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CID 1186776
ethyl 5,5-dimethyl-2-{[3-(morpholin-4-yl)propanoyl]amino}-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
CID 657954
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
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-[(2-hydroxy-2-methylpropanoyl)amino]-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-3-carboxamide
CID 117857677

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentanecarbonylamino)-N-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The IUPAC name of 2-(cyclopentanecarbonylamino)-N-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (CID 71461322) is 2-(cyclopentanecarbonylamino)-N-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.
What is the SMILES notation for 2-(cyclopentanecarbonylamino)-N-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The canonical SMILES for 2-(cyclopentanecarbonylamino)-N-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is COCCNC(=O)c1c(NC(=O)C2CCCC2)sc2c1CCOC2.
What is the InChIKey of 2-(cyclopentanecarbonylamino)-N-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The InChIKey is NZGMJUKSXBJUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-22-9-7-18-16(21)14-12-6-8-23-10-13(12)24-17(14)19-15(20)11-4-2-3-5-11/h11H,2-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-(cyclopentanecarbonylamino)-N-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
2-(cyclopentanecarbonylamino)-N-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentanecarbonylamino)-N-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is sourced from PubChem (CID 71461322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).