N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide

C25H29FN4O3S — CID 58291910

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(C)CCC(NS(=O)(=O)c2ccc(-n3cccn3)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H29FN4O3S/c1-18(19-4-6-20(26)7-5-19)28-24(31)25(2)14-12-21(13-15-25)29-34(32,33)23-10-8-22(9-11-23)30-17-3-16-27-30/h3-11,16-18,21,29H,12-15H2,1-2H3,(H,28,31)/t18-,21?,25?/m1/s1
InChIKeyKXONPMXWXYWXHM-MFDWQKDMSA-N
MW484.60 g/mol
LogP4.12
Rot. Bonds7

About N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide (PubChem CID 58291910) has the molecular formula C25H29FN4O3S and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
PubChem CID58291910
Molecular FormulaC25H29FN4O3S
Molecular Weight484.60 g/mol
Exact Mass484.19
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(C)CCC(NS(=O)(=O)c2ccc(-n3cccn3)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H29FN4O3S/c1-18(19-4-6-20(26)7-5-19)28-24(31)25(2)14-12-21(13-15-25)29-34(32,33)23-10-8-22(9-11-23)30-17-3-16-27-30/h3-11,16-18,21,29H,12-15H2,1-2H3,(H,28,31)/t18-,21?,25?/m1/s1
InChIKeyKXONPMXWXYWXHM-MFDWQKDMSA-N
XLogP4.12
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide (CID 58291910) is N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide is C[C@@H](NC(=O)C1(C)CCC(NS(=O)(=O)c2ccc(-n3cccn3)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide?
The InChIKey is KXONPMXWXYWXHM-MFDWQKDMSA-N. The full InChI is InChI=1S/C25H29FN4O3S/c1-18(19-4-6-20(26)7-5-19)28-24(31)25(2)14-12-21(13-15-25)29-34(32,33)23-10-8-22(9-11-23)30-17-3-16-27-30/h3-11,16-18,21,29H,12-15H2,1-2H3,(H,28,31)/t18-,21?,25?/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 58291910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).