4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide

C22H28N2O4S — CID 40695566

IUPAC4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-24(2)29(26,27)19-13-14-21(28-3)20(15-19)23-22(25)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-16H,4-8H2,1-3H3,(H,23,25)
InChIKeyBPLMWXXPYJMJBN-UHFFFAOYSA-N
MW416.54 g/mol
LogP4.25
Rot. Bonds6

About 4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide

4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide (PubChem CID 40695566) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
PubChem CID40695566
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-24(2)29(26,27)19-13-14-21(28-3)20(15-19)23-22(25)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-16H,4-8H2,1-3H3,(H,23,25)
InChIKeyBPLMWXXPYJMJBN-UHFFFAOYSA-N
XLogP4.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
CID 7750677
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4795128
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(dimethylsulfamoyl)benzamide
CID 3963997
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7921725
3-[[(4-cyclohexylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 30873167
3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750690
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methoxy-5-methylbenzamide
CID 9047184
3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750655
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide
CID 7921738
4-(cyclopropylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 24643912

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide?
The IUPAC name of 4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide (CID 40695566) is 4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide.
What is the SMILES notation for 4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide?
The canonical SMILES for 4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide?
The InChIKey is BPLMWXXPYJMJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-24(2)29(26,27)19-13-14-21(28-3)20(15-19)23-22(25)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-16H,4-8H2,1-3H3,(H,23,25).
What are the key properties of 4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide?
4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide has a molecular weight of 416.54 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide is sourced from PubChem (CID 40695566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).