1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide

C25H32N2O3S — CID 50822132

IUPAC1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCC(C)CC4)CC3)cc2)cc1C
InChIInChI=1S/C25H32N2O3S/c1-17-4-9-21(10-5-17)26-24(28)25(14-15-25)20-7-11-22(12-8-20)27-31(29,30)23-13-6-18(2)19(3)16-23/h6-8,11-13,16-17,21,27H,4-5,9-10,14-15H2,1-3H3,(H,26,28)
InChIKeyCJSZLNGACWOXHD-UHFFFAOYSA-N
MW440.61 g/mol
LogP4.83
Rot. Bonds6

About 1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide

1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide (PubChem CID 50822132) has the molecular formula C25H32N2O3S and a molecular weight of 440.61 g/mol. Its IUPAC name is 1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide
PubChem CID50822132
Molecular FormulaC25H32N2O3S
Molecular Weight440.61 g/mol
Exact Mass440.21
IUPAC Name1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCC(C)CC4)CC3)cc2)cc1C
InChIInChI=1S/C25H32N2O3S/c1-17-4-9-21(10-5-17)26-24(28)25(14-15-25)20-7-11-22(12-8-20)27-31(29,30)23-13-6-18(2)19(3)16-23/h6-8,11-13,16-17,21,27H,4-5,9-10,14-15H2,1-3H3,(H,26,28)
InChIKeyCJSZLNGACWOXHD-UHFFFAOYSA-N
XLogP4.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062098
N-cyclohexyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378333
N-(4-methylcyclohexyl)-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378252
N-cycloheptyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061942
N-(4-methylcyclohexyl)-1-[4-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971641
N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50820428
N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822156
N-butyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822324
N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 46378168
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
CID 46378187
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide
CID 50822425
N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971652

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide (CID 50822132) is 1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCC(C)CC4)CC3)cc2)cc1C.
What is the InChIKey of 1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide?
The InChIKey is CJSZLNGACWOXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3S/c1-17-4-9-21(10-5-17)26-24(28)25(14-15-25)20-7-11-22(12-8-20)27-31(29,30)23-13-6-18(2)19(3)16-23/h6-8,11-13,16-17,21,27H,4-5,9-10,14-15H2,1-3H3,(H,26,28).
What are the key properties of 1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide?
1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide has a molecular weight of 440.61 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 50822132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).