N-[5-(4,4-dimethylcyclohexen-1-yl)thiophen-3-yl]-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide

C26H39NO2S — CID 152782063

IUPACN-[5-(4,4-dimethylcyclohexen-1-yl)thiophen-3-yl]-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)N(c2csc(C3=CCC(C)(C)CC3)c2)C2CCC(O)CC2)CC1
InChIInChI=1S/C26H39NO2S/c1-18-4-6-20(7-5-18)25(29)27(21-8-10-23(28)11-9-21)22-16-24(30-17-22)19-12-14-26(2,3)15-13-19/h12,16-18,20-21,23,28H,4-11,13-15H2,1-3H3
InChIKeyABNNDEMJYUTWCK-UHFFFAOYSA-N
MW429.67 g/mol
LogP6.80
Rot. Bonds4

About N-[5-(4,4-dimethylcyclohexen-1-yl)thiophen-3-yl]-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide

N-[5-(4,4-dimethylcyclohexen-1-yl)thiophen-3-yl]-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 152782063) has the molecular formula C26H39NO2S and a molecular weight of 429.67 g/mol. Its IUPAC name is N-[5-(4,4-dimethylcyclohexen-1-yl)thiophen-3-yl]-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(4,4-dimethylcyclohexen-1-yl)thiophen-3-yl]-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide
PubChem CID152782063
Molecular FormulaC26H39NO2S
Molecular Weight429.67 g/mol
Exact Mass429.27
IUPAC NameN-[5-(4,4-dimethylcyclohexen-1-yl)thiophen-3-yl]-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)N(c2csc(C3=CCC(C)(C)CC3)c2)C2CCC(O)CC2)CC1
InChIInChI=1S/C26H39NO2S/c1-18-4-6-20(7-5-18)25(29)27(21-8-10-23(28)11-9-21)22-16-24(30-17-22)19-12-14-26(2,3)15-13-19/h12,16-18,20-21,23,28H,4-11,13-15H2,1-3H3
InChIKeyABNNDEMJYUTWCK-UHFFFAOYSA-N
XLogP6.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.67
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(1-oxothian-4-yl)-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide
CID 142709258
ethanol;3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(4-iminocyclohexen-1-yl)thiophene-2-carboxylic acid
CID 159114006
N-(5-tert-butylthiophen-3-yl)-4-methyl-N-[4-(1,3-thiazol-2-yloxy)cyclohexyl]cyclohexane-1-carboxamide
CID 70803409
5-(cyclohexen-1-yl)-3-[cyclohexyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
CID 11963193
5-(cyclohexen-1-yl)-3-[(4-iminocyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
CID 143324597
4-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 91384838
3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[(4E)-4-phenylmethoxyiminocyclohexen-1-yl]thiophene-2-carboxylic acid
CID 11963274
5-but-1-ynyl-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
CID 56837604
5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-[4-(1,2,4-triazol-1-yl)cyclohexyl]amino]thiophene-2-carboxylic acid;hydrochloride
CID 71205462
5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(3-oxo-2-azaspiro[4.5]decan-8-yl)amino]thiophene-2-carboxylic acid;ethane
CID 143324599
5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid;hydrate
CID 71496172
5-(4,4-dimethylpent-1-en-2-yl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
CID 134423977

Frequently Asked Questions

What is the IUPAC name of N-[5-(4,4-dimethylcyclohexen-1-yl)thiophen-3-yl]-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[5-(4,4-dimethylcyclohexen-1-yl)thiophen-3-yl]-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide (CID 152782063) is N-[5-(4,4-dimethylcyclohexen-1-yl)thiophen-3-yl]-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[5-(4,4-dimethylcyclohexen-1-yl)thiophen-3-yl]-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[5-(4,4-dimethylcyclohexen-1-yl)thiophen-3-yl]-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)N(c2csc(C3=CCC(C)(C)CC3)c2)C2CCC(O)CC2)CC1.
What is the InChIKey of N-[5-(4,4-dimethylcyclohexen-1-yl)thiophen-3-yl]-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is ABNNDEMJYUTWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO2S/c1-18-4-6-20(7-5-18)25(29)27(21-8-10-23(28)11-9-21)22-16-24(30-17-22)19-12-14-26(2,3)15-13-19/h12,16-18,20-21,23,28H,4-11,13-15H2,1-3H3.
What are the key properties of N-[5-(4,4-dimethylcyclohexen-1-yl)thiophen-3-yl]-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide?
N-[5-(4,4-dimethylcyclohexen-1-yl)thiophen-3-yl]-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 429.67 g/mol, XLogP of 6.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4,4-dimethylcyclohexen-1-yl)thiophen-3-yl]-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 152782063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).