N-cyclohexyl-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide

C23H30N2O3S — CID 1107886

IUPACN-cyclohexyl-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
SMILESCc1ccc(N(Cc2ccc(C(=O)NC3CCCCC3)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C23H30N2O3S/c1-17-9-14-22(15-18(17)2)25(29(3,27)28)16-19-10-12-20(13-11-19)23(26)24-21-7-5-4-6-8-21/h9-15,21H,4-8,16H2,1-3H3,(H,24,26)
InChIKeyOZJYCLADSBAXNT-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.33
Rot. Bonds6

About N-cyclohexyl-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide

N-cyclohexyl-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide (PubChem CID 1107886) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-cyclohexyl-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
PubChem CID1107886
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-cyclohexyl-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
SMILESCc1ccc(N(Cc2ccc(C(=O)NC3CCCCC3)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C23H30N2O3S/c1-17-9-14-22(15-18(17)2)25(29(3,27)28)16-19-10-12-20(13-11-19)23(26)24-21-7-5-4-6-8-21/h9-15,21H,4-8,16H2,1-3H3,(H,24,26)
InChIKeyOZJYCLADSBAXNT-UHFFFAOYSA-N
XLogP4.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The IUPAC name of N-cyclohexyl-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide (CID 1107886) is N-cyclohexyl-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The canonical SMILES for N-cyclohexyl-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide is Cc1ccc(N(Cc2ccc(C(=O)NC3CCCCC3)cc2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-cyclohexyl-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The InChIKey is OZJYCLADSBAXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-17-9-14-22(15-18(17)2)25(29(3,27)28)16-19-10-12-20(13-11-19)23(26)24-21-7-5-4-6-8-21/h9-15,21H,4-8,16H2,1-3H3,(H,24,26).
What are the key properties of N-cyclohexyl-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
N-cyclohexyl-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide has a molecular weight of 414.57 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide is sourced from PubChem (CID 1107886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).