3-cyclohexyl-N-[4-[(3-methylphenyl)sulfonylmethyl]cyclohexyl]propanamide

C23H35NO3S — CID 162215890

IUPAC3-cyclohexyl-N-[4-[(3-methylphenyl)sulfonylmethyl]cyclohexyl]propanamide
SMILESCc1cccc(S(=O)(=O)CC2CCC(NC(=O)CCC3CCCCC3)CC2)c1
InChIInChI=1S/C23H35NO3S/c1-18-6-5-9-22(16-18)28(26,27)17-20-10-13-21(14-11-20)24-23(25)15-12-19-7-3-2-4-8-19/h5-6,9,16,19-21H,2-4,7-8,10-15,17H2,1H3,(H,24,25)
InChIKeyZTLPLTMVNLQXPY-UHFFFAOYSA-N
MW405.60 g/mol
LogP4.80
Rot. Bonds7

About 3-cyclohexyl-N-[4-[(3-methylphenyl)sulfonylmethyl]cyclohexyl]propanamide

3-cyclohexyl-N-[4-[(3-methylphenyl)sulfonylmethyl]cyclohexyl]propanamide (PubChem CID 162215890) has the molecular formula C23H35NO3S and a molecular weight of 405.60 g/mol. Its IUPAC name is 3-cyclohexyl-N-[4-[(3-methylphenyl)sulfonylmethyl]cyclohexyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[4-[(3-methylphenyl)sulfonylmethyl]cyclohexyl]propanamide
PubChem CID162215890
Molecular FormulaC23H35NO3S
Molecular Weight405.60 g/mol
Exact Mass405.23
IUPAC Name3-cyclohexyl-N-[4-[(3-methylphenyl)sulfonylmethyl]cyclohexyl]propanamide
SMILESCc1cccc(S(=O)(=O)CC2CCC(NC(=O)CCC3CCCCC3)CC2)c1
InChIInChI=1S/C23H35NO3S/c1-18-6-5-9-22(16-18)28(26,27)17-20-10-13-21(14-11-20)24-23(25)15-12-19-7-3-2-4-8-19/h5-6,9,16,19-21H,2-4,7-8,10-15,17H2,1H3,(H,24,25)
InChIKeyZTLPLTMVNLQXPY-UHFFFAOYSA-N
XLogP4.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.60
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-[[4-[(3-methylphenyl)sulfonylmethyl]cyclohexyl]amino]pentan-2-one
CID 158880096
N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112995022
3-cyclohexyl-N-[4-(methylamino)cyclohexyl]propanamide
CID 43653177
N-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide
CID 91903795
3-(benzenesulfonyl)-N-cyclohexylpropanamide
CID 6458857
3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81181099
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide
CID 131913766
1-bromo-3-(cyclohexylmethylsulfonyl)benzene
CID 67130389
tert-butyl N-[4-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]cyclohexyl]carbamate
CID 67054720
2-(N-acetyl-3-methylanilino)-N-cyclopropylacetamide
CID 113167455
N-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide
CID 109013960

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[4-[(3-methylphenyl)sulfonylmethyl]cyclohexyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[4-[(3-methylphenyl)sulfonylmethyl]cyclohexyl]propanamide (CID 162215890) is 3-cyclohexyl-N-[4-[(3-methylphenyl)sulfonylmethyl]cyclohexyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[4-[(3-methylphenyl)sulfonylmethyl]cyclohexyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[4-[(3-methylphenyl)sulfonylmethyl]cyclohexyl]propanamide is Cc1cccc(S(=O)(=O)CC2CCC(NC(=O)CCC3CCCCC3)CC2)c1.
What is the InChIKey of 3-cyclohexyl-N-[4-[(3-methylphenyl)sulfonylmethyl]cyclohexyl]propanamide?
The InChIKey is ZTLPLTMVNLQXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO3S/c1-18-6-5-9-22(16-18)28(26,27)17-20-10-13-21(14-11-20)24-23(25)15-12-19-7-3-2-4-8-19/h5-6,9,16,19-21H,2-4,7-8,10-15,17H2,1H3,(H,24,25).
What are the key properties of 3-cyclohexyl-N-[4-[(3-methylphenyl)sulfonylmethyl]cyclohexyl]propanamide?
3-cyclohexyl-N-[4-[(3-methylphenyl)sulfonylmethyl]cyclohexyl]propanamide has a molecular weight of 405.60 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[4-[(3-methylphenyl)sulfonylmethyl]cyclohexyl]propanamide is sourced from PubChem (CID 162215890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).