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

C18H20N2O2S — CID 9459810

IUPACN-(2-morpholin-4-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1cc2c(s1)CCC2
InChIInChI=1S/C18H20N2O2S/c21-18(17-12-13-4-3-7-16(13)23-17)19-14-5-1-2-6-15(14)20-8-10-22-11-9-20/h1-2,5-6,12H,3-4,7-11H2,(H,19,21)
InChIKeyKGWWKVWRVZYBTK-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.33
Rot. Bonds3

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

N-(2-morpholin-4-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 9459810) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID9459810
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(2-morpholin-4-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1cc2c(s1)CCC2
InChIInChI=1S/C18H20N2O2S/c21-18(17-12-13-4-3-7-16(13)23-17)19-14-5-1-2-6-15(14)20-8-10-22-11-9-20/h1-2,5-6,12H,3-4,7-11H2,(H,19,21)
InChIKeyKGWWKVWRVZYBTK-UHFFFAOYSA-N
XLogP3.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 4084205
N-(2-morpholin-4-ylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784537
1,3-dimethyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 17465549
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 55416200
N-(2-phenoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2348573
5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 166217956
N-(2-carbamoylphenyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 47008398
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 43185522
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
N-(2-propan-2-ylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7958260
N-(2-morpholin-4-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 100904524
2,4-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 3662242

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 9459810) is N-(2-morpholin-4-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is O=C(Nc1ccccc1N1CCOCC1)c1cc2c(s1)CCC2.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is KGWWKVWRVZYBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-18(17-12-13-4-3-7-16(13)23-17)19-14-5-1-2-6-15(14)20-8-10-22-11-9-20/h1-2,5-6,12H,3-4,7-11H2,(H,19,21).
What are the key properties of N-(2-morpholin-4-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(2-morpholin-4-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 9459810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).