N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C16H17NO2S — CID 2373396

IUPACN-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C16H17NO2S/c1-10-6-7-13(19-2)12(8-10)17-16(18)15-9-11-4-3-5-14(11)20-15/h6-9H,3-5H2,1-2H3,(H,17,18)
InChIKeyHMVYQZGBIRVSTE-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.81
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 2373396) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID2373396
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C16H17NO2S/c1-10-6-7-13(19-2)12(8-10)17-16(18)15-9-11-4-3-5-14(11)20-15/h6-9H,3-5H2,1-2H3,(H,17,18)
InChIKeyHMVYQZGBIRVSTE-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 2373396) is N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is COc1ccc(C)cc1NC(=O)c1cc2c(s1)CCC2.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is HMVYQZGBIRVSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-10-6-7-13(19-2)12(8-10)17-16(18)15-9-11-4-3-5-14(11)20-15/h6-9H,3-5H2,1-2H3,(H,17,18).
What are the key properties of N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 287.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 2373396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).