1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

C27H33F3N2O5S — CID 146062098

IUPAC1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCC(C)CC4)CC3)cc2)cc1C.O=C(O)C(F)(F)F
InChIInChI=1S/C25H32N2O3S.C2HF3O2/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;3-2(4,5)1(6)7/h6-8,11-13,16-17,21,27H,4-5,9-10,14-15H2,1-3H3,(H,26,28);(H,6,7)
InChIKeyPPYXZRWABHXNAT-UHFFFAOYSA-N
MW554.63 g/mol
LogP5.46
Rot. Bonds6

About 1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 146062098) has the molecular formula C27H33F3N2O5S and a molecular weight of 554.63 g/mol. Its IUPAC name is 1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID146062098
Molecular FormulaC27H33F3N2O5S
Molecular Weight554.63 g/mol
Exact Mass554.21
IUPAC Name1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCC(C)CC4)CC3)cc2)cc1C.O=C(O)C(F)(F)F
InChIInChI=1S/C25H32N2O3S.C2HF3O2/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;3-2(4,5)1(6)7/h6-8,11-13,16-17,21,27H,4-5,9-10,14-15H2,1-3H3,(H,26,28);(H,6,7)
InChIKeyPPYXZRWABHXNAT-UHFFFAOYSA-N
XLogP5.46
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.63
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide
CID 50822132
N-cycloheptyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061942
N-cyclohexyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378333
N-(cyclohexylmethyl)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062216
1-[4-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062092
N-(4-methylcyclohexyl)-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378252
N-cycloheptyl-1-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061943
1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062249
N-benzyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061887
N-butan-2-yl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061908
N-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062318
N-(4-methylcyclohexyl)-1-[4-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971641

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (CID 146062098) is 1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCC(C)CC4)CC3)cc2)cc1C.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is PPYXZRWABHXNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3S.C2HF3O2/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;3-2(4,5)1(6)7/h6-8,11-13,16-17,21,27H,4-5,9-10,14-15H2,1-3H3,(H,26,28);(H,6,7).
What are the key properties of 1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 554.63 g/mol, XLogP of 5.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 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;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146062098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).