N-[2,6-dichloro-4-(3-cyclohexylpropanoylamino)phenyl]-4-methylsulfonylbenzamide

C23H26Cl2N2O4S — CID 55557340

IUPACN-[2,6-dichloro-4-(3-cyclohexylpropanoylamino)phenyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2c(Cl)cc(NC(=O)CCC3CCCCC3)cc2Cl)cc1
InChIInChI=1S/C23H26Cl2N2O4S/c1-32(30,31)18-10-8-16(9-11-18)23(29)27-22-19(24)13-17(14-20(22)25)26-21(28)12-7-15-5-3-2-4-6-15/h8-11,13-15H,2-7,12H2,1H3,(H,26,28)(H,27,29)
InChIKeyOMUPMDBFHUECGD-UHFFFAOYSA-N
MW497.44 g/mol
LogP5.95
Rot. Bonds7

About N-[2,6-dichloro-4-(3-cyclohexylpropanoylamino)phenyl]-4-methylsulfonylbenzamide

N-[2,6-dichloro-4-(3-cyclohexylpropanoylamino)phenyl]-4-methylsulfonylbenzamide (PubChem CID 55557340) has the molecular formula C23H26Cl2N2O4S and a molecular weight of 497.44 g/mol. Its IUPAC name is N-[2,6-dichloro-4-(3-cyclohexylpropanoylamino)phenyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2,6-dichloro-4-(3-cyclohexylpropanoylamino)phenyl]-4-methylsulfonylbenzamide
PubChem CID55557340
Molecular FormulaC23H26Cl2N2O4S
Molecular Weight497.44 g/mol
Exact Mass496.10
IUPAC NameN-[2,6-dichloro-4-(3-cyclohexylpropanoylamino)phenyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2c(Cl)cc(NC(=O)CCC3CCCCC3)cc2Cl)cc1
InChIInChI=1S/C23H26Cl2N2O4S/c1-32(30,31)18-10-8-16(9-11-18)23(29)27-22-19(24)13-17(14-20(22)25)26-21(28)12-7-15-5-3-2-4-6-15/h8-11,13-15H,2-7,12H2,1H3,(H,26,28)(H,27,29)
InChIKeyOMUPMDBFHUECGD-UHFFFAOYSA-N
XLogP5.95
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.44
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyclohexylbutanoylamino)-5-methylsulfonylbenzoic acid
CID 119257879
N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide
CID 62211718
3-(4-cyclopentylbutanoylamino)-5-methylsulfonylbenzoic acid
CID 119257840
3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 1222303
3-methylsulfonyl-5-[3-(oxan-4-yl)propanoylamino]benzoic acid
CID 119257900
N-(4-acetylphenyl)-3-cyclopentylpropanamide
CID 835633
N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651
3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
CID 4588833
4-(3-cyclohexylpropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 46803503
4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 33002263
3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide
CID 3715174
3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide
CID 5031253

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dichloro-4-(3-cyclohexylpropanoylamino)phenyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[2,6-dichloro-4-(3-cyclohexylpropanoylamino)phenyl]-4-methylsulfonylbenzamide (CID 55557340) is N-[2,6-dichloro-4-(3-cyclohexylpropanoylamino)phenyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[2,6-dichloro-4-(3-cyclohexylpropanoylamino)phenyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[2,6-dichloro-4-(3-cyclohexylpropanoylamino)phenyl]-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2c(Cl)cc(NC(=O)CCC3CCCCC3)cc2Cl)cc1.
What is the InChIKey of N-[2,6-dichloro-4-(3-cyclohexylpropanoylamino)phenyl]-4-methylsulfonylbenzamide?
The InChIKey is OMUPMDBFHUECGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O4S/c1-32(30,31)18-10-8-16(9-11-18)23(29)27-22-19(24)13-17(14-20(22)25)26-21(28)12-7-15-5-3-2-4-6-15/h8-11,13-15H,2-7,12H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[2,6-dichloro-4-(3-cyclohexylpropanoylamino)phenyl]-4-methylsulfonylbenzamide?
N-[2,6-dichloro-4-(3-cyclohexylpropanoylamino)phenyl]-4-methylsulfonylbenzamide has a molecular weight of 497.44 g/mol, XLogP of 5.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dichloro-4-(3-cyclohexylpropanoylamino)phenyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 55557340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).