N-ethyl-N-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

C18H22N2O2S — CID 47775400

IUPACN-ethyl-N-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
SMILESCCN(C(=O)c1cc2c(s1)CCCCC2)c1ccc(OC)nc1
InChIInChI=1S/C18H22N2O2S/c1-3-20(14-9-10-17(22-2)19-12-14)18(21)16-11-13-7-5-4-6-8-15(13)23-16/h9-12H,3-8H2,1-2H3
InChIKeyRSGMTVWPOAMMRO-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.09
Rot. Bonds4

About N-ethyl-N-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

N-ethyl-N-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide (PubChem CID 47775400) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-ethyl-N-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
PubChem CID47775400
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-ethyl-N-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
SMILESCCN(C(=O)c1cc2c(s1)CCCCC2)c1ccc(OC)nc1
InChIInChI=1S/C18H22N2O2S/c1-3-20(14-9-10-17(22-2)19-12-14)18(21)16-11-13-7-5-4-6-8-15(13)23-16/h9-12H,3-8H2,1-2H3
InChIKeyRSGMTVWPOAMMRO-UHFFFAOYSA-N
XLogP4.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

N-(6-methoxy-3-pyridinyl)-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 48735497
N-ethyl-N-(6-methoxy-3-pyridinyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 95905024
N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 91760597
ethyl 2-[ethyl(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]acetate
CID 61021147
N-(1-aminopropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119584997
N-methyl-N-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 78843956
methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 3506281
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 24553211
2-(4-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanone
CID 63528902
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
2-ethoxy-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanone
CID 115783007

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide (CID 47775400) is N-ethyl-N-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide is CCN(C(=O)c1cc2c(s1)CCCCC2)c1ccc(OC)nc1.
What is the InChIKey of N-ethyl-N-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The InChIKey is RSGMTVWPOAMMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-20(14-9-10-17(22-2)19-12-14)18(21)16-11-13-7-5-4-6-8-15(13)23-16/h9-12H,3-8H2,1-2H3.
What are the key properties of N-ethyl-N-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
N-ethyl-N-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide is sourced from PubChem (CID 47775400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).