5-methyl-N-[2-oxo-2-(3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethyl]thiophene-2-carboxamide

C21H22N2O2S — CID 155944420

IUPAC5-methyl-N-[2-oxo-2-(3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N2C3C=C(c4ccccc4)CC2CC3)s1
InChIInChI=1S/C21H22N2O2S/c1-14-7-10-19(26-14)21(25)22-13-20(24)23-17-8-9-18(23)12-16(11-17)15-5-3-2-4-6-15/h2-7,10-11,17-18H,8-9,12-13H2,1H3,(H,22,25)
InChIKeyGWUPZPCGIUUPIH-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.63
Rot. Bonds4

About 5-methyl-N-[2-oxo-2-(3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethyl]thiophene-2-carboxamide

5-methyl-N-[2-oxo-2-(3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethyl]thiophene-2-carboxamide (PubChem CID 155944420) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 5-methyl-N-[2-oxo-2-(3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-oxo-2-(3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethyl]thiophene-2-carboxamide
PubChem CID155944420
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name5-methyl-N-[2-oxo-2-(3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N2C3C=C(c4ccccc4)CC2CC3)s1
InChIInChI=1S/C21H22N2O2S/c1-14-7-10-19(26-14)21(25)22-13-20(24)23-17-8-9-18(23)12-16(11-17)15-5-3-2-4-6-15/h2-7,10-11,17-18H,8-9,12-13H2,1H3,(H,22,25)
InChIKeyGWUPZPCGIUUPIH-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-oxo-2-(3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-oxo-2-(3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethyl]thiophene-2-carboxamide (CID 155944420) is 5-methyl-N-[2-oxo-2-(3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-oxo-2-(3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-oxo-2-(3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)N2C3C=C(c4ccccc4)CC2CC3)s1.
What is the InChIKey of 5-methyl-N-[2-oxo-2-(3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is GWUPZPCGIUUPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-14-7-10-19(26-14)21(25)22-13-20(24)23-17-8-9-18(23)12-16(11-17)15-5-3-2-4-6-15/h2-7,10-11,17-18H,8-9,12-13H2,1H3,(H,22,25).
What are the key properties of 5-methyl-N-[2-oxo-2-(3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethyl]thiophene-2-carboxamide?
5-methyl-N-[2-oxo-2-(3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-oxo-2-(3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 155944420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).