N-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

C27H33F3N2O5S — CID 146062318

IUPACN-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H32N2O3S.C2HF3O2/c1-2-6-19-9-15-23(16-10-19)31(29,30)27-22-13-11-20(12-14-22)25(17-18-25)24(28)26-21-7-4-3-5-8-21;3-2(4,5)1(6)7/h9-16,21,27H,2-8,17-18H2,1H3,(H,26,28);(H,6,7)
InChIKeyGKLZTGIQFJDNRA-UHFFFAOYSA-N
MW554.63 g/mol
LogP5.55
Rot. Bonds8

About N-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

N-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 146062318) has the molecular formula C27H33F3N2O5S and a molecular weight of 554.63 g/mol. Its IUPAC name is N-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID146062318
Molecular FormulaC27H33F3N2O5S
Molecular Weight554.63 g/mol
Exact Mass554.21
IUPAC NameN-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H32N2O3S.C2HF3O2/c1-2-6-19-9-15-23(16-10-19)31(29,30)27-22-13-11-20(12-14-22)25(17-18-25)24(28)26-21-7-4-3-5-8-21;3-2(4,5)1(6)7/h9-16,21,27H,2-8,17-18H2,1H3,(H,26,28);(H,6,7)
InChIKeyGKLZTGIQFJDNRA-UHFFFAOYSA-N
XLogP5.55
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.63
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062387
N-cycloheptyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061942
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
N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822210
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-(4-methylcyclohexyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062098
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
CID 46378187
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-ethylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062083
N-cyclohexyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378333
N-(cyclohexylmethyl)-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062211
N-(2-phenylethyl)-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822306

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (CID 146062318) is N-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is CCCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is GKLZTGIQFJDNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3S.C2HF3O2/c1-2-6-19-9-15-23(16-10-19)31(29,30)27-22-13-11-20(12-14-22)25(17-18-25)24(28)26-21-7-4-3-5-8-21;3-2(4,5)1(6)7/h9-16,21,27H,2-8,17-18H2,1H3,(H,26,28);(H,6,7).
What are the key properties of N-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
N-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 554.63 g/mol, XLogP of 5.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146062318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).