1-[3-[5-(4-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-4-yl]-5-phenylthiophen-2-yl]ethanone

C24H29NOS — CID 70351440

IUPAC1-[3-[5-(4-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-4-yl]-5-phenylthiophen-2-yl]ethanone
SMILESCC(=O)c1sc(-c2ccccc2)cc1C1=C(C2CCC(C)CC2)CNCC1
InChIInChI=1S/C24H29NOS/c1-16-8-10-18(11-9-16)22-15-25-13-12-20(22)21-14-23(27-24(21)17(2)26)19-6-4-3-5-7-19/h3-7,14,16,18,25H,8-13,15H2,1-2H3
InChIKeyOEILGHGOBIWUMA-UHFFFAOYSA-N
MW379.57 g/mol
LogP6.19
Rot. Bonds4

About 1-[3-[5-(4-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-4-yl]-5-phenylthiophen-2-yl]ethanone

1-[3-[5-(4-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-4-yl]-5-phenylthiophen-2-yl]ethanone (PubChem CID 70351440) has the molecular formula C24H29NOS and a molecular weight of 379.57 g/mol. Its IUPAC name is 1-[3-[5-(4-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-4-yl]-5-phenylthiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-[5-(4-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-4-yl]-5-phenylthiophen-2-yl]ethanone
PubChem CID70351440
Molecular FormulaC24H29NOS
Molecular Weight379.57 g/mol
Exact Mass379.20
IUPAC Name1-[3-[5-(4-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-4-yl]-5-phenylthiophen-2-yl]ethanone
SMILESCC(=O)c1sc(-c2ccccc2)cc1C1=C(C2CCC(C)CC2)CNCC1
InChIInChI=1S/C24H29NOS/c1-16-8-10-18(11-9-16)22-15-25-13-12-20(22)21-14-23(27-24(21)17(2)26)19-6-4-3-5-7-19/h3-7,14,16,18,25H,8-13,15H2,1-2H3
InChIKeyOEILGHGOBIWUMA-UHFFFAOYSA-N
XLogP6.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.57
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(4-methylcyclohexyl)-1-(1-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-phenylthiophene-2-carboxylic acid
CID 154437836
3-[5-(4-methylcyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-5-phenylthiophene-2-carboxylic acid
CID 67991038
5-(4-aminophenyl)-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylic acid
CID 57407199
3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-[4-(1,3-thiazol-4-yl)phenyl]thiophene-2-carboxylic acid
CID 70355941
3-[1-acetyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-phenylthiophene-2-carboxylic acid;methane;3-[5-(4-methylcyclohexyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-phenylthiophene-2-carboxylic acid;3-[5-(4-methylcyclohexyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-phenylthiophene-2-carboxylic acid
CID 159072891
3-[1-(3aH-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-ylmethyl)-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-phenylthiophene-2-carboxylic acid
CID 123940352
methyl 3-[3-(4-methylcyclohexyl)-4-pyridinyl]-5-phenylthiophene-2-carboxylate
CID 67991028
5-(4-amino-3-cyanophenyl)-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylic acid
CID 130466129
methyl 5-(4-acetamidophenyl)-3-[1-ethyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylate
CID 67991053
5-[4-[(1E,3E)-4-ethenylsulfanyl-3-methylbuta-1,3-dienyl]phenyl]-3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]thiophene-2-carboxylic acid
CID 88544626
3-[1-ethyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-[4-(pyridin-2-ylcarbamoyl)phenyl]thiophene-2-carboxylic acid
CID 67991112
3-[1-methyl-5-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-5-[4-(1,3-thiazole-4-carbonylamino)phenyl]thiophene-2-carboxylic acid
CID 57406816

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-4-yl]-5-phenylthiophen-2-yl]ethanone?
The IUPAC name of 1-[3-[5-(4-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-4-yl]-5-phenylthiophen-2-yl]ethanone (CID 70351440) is 1-[3-[5-(4-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-4-yl]-5-phenylthiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-[5-(4-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-4-yl]-5-phenylthiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-[5-(4-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-4-yl]-5-phenylthiophen-2-yl]ethanone is CC(=O)c1sc(-c2ccccc2)cc1C1=C(C2CCC(C)CC2)CNCC1.
What is the InChIKey of 1-[3-[5-(4-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-4-yl]-5-phenylthiophen-2-yl]ethanone?
The InChIKey is OEILGHGOBIWUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NOS/c1-16-8-10-18(11-9-16)22-15-25-13-12-20(22)21-14-23(27-24(21)17(2)26)19-6-4-3-5-7-19/h3-7,14,16,18,25H,8-13,15H2,1-2H3.
What are the key properties of 1-[3-[5-(4-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-4-yl]-5-phenylthiophen-2-yl]ethanone?
1-[3-[5-(4-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-4-yl]-5-phenylthiophen-2-yl]ethanone has a molecular weight of 379.57 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-methylcyclohexyl)-1,2,3,6-tetrahydropyridin-4-yl]-5-phenylthiophen-2-yl]ethanone is sourced from PubChem (CID 70351440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).