N-(6-methoxy-3-pyridinyl)-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

C18H22N2O2S — CID 48735497

IUPACN-(6-methoxy-3-pyridinyl)-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cc3c(s2)CCCCCC3)cn1
InChIInChI=1S/C18H22N2O2S/c1-20(14-9-10-17(22-2)19-12-14)18(21)16-11-13-7-5-3-4-6-8-15(13)23-16/h9-12H,3-8H2,1-2H3
InChIKeyVIYVPSXPMKUETO-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.09
Rot. Bonds3

About N-(6-methoxy-3-pyridinyl)-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

N-(6-methoxy-3-pyridinyl)-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide (PubChem CID 48735497) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
PubChem CID48735497
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-(6-methoxy-3-pyridinyl)-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cc3c(s2)CCCCCC3)cn1
InChIInChI=1S/C18H22N2O2S/c1-20(14-9-10-17(22-2)19-12-14)18(21)16-11-13-7-5-3-4-6-8-15(13)23-16/h9-12H,3-8H2,1-2H3
InChIKeyVIYVPSXPMKUETO-UHFFFAOYSA-N
XLogP4.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(6-methoxy-3-pyridinyl)-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide with MolForge

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Related Compounds

N-ethyl-N-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 47775400
N-methyl-N-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 78843956
N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 91760597
methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 3506281
N-(1-aminopropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119584997
N-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 4061084
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 9426402
N-(furan-2-ylmethyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 71902779
N-[3-(dimethylcarbamoyl)phenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 32626824
N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 97145690
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 99702373
N-[3-[methyl(phenyl)carbamoyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 167834049

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide (CID 48735497) is N-(6-methoxy-3-pyridinyl)-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide is COc1ccc(N(C)C(=O)c2cc3c(s2)CCCCCC3)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The InChIKey is VIYVPSXPMKUETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-20(14-9-10-17(22-2)19-12-14)18(21)16-11-13-7-5-3-4-6-8-15(13)23-16/h9-12H,3-8H2,1-2H3.
What are the key properties of N-(6-methoxy-3-pyridinyl)-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
N-(6-methoxy-3-pyridinyl)-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide is sourced from PubChem (CID 48735497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).