4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide

C22H27FN2O3S — CID 5323476

IUPAC4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN2O3S/c23-20-10-12-21(13-11-20)29(27,28)25-16-18-6-8-19(9-7-18)22(26)24-15-14-17-4-2-1-3-5-17/h1-5,10-13,18-19,25H,6-9,14-16H2,(H,24,26)
InChIKeyGLKLOADMDLVDJN-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.27
Rot. Bonds8

About 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide

4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide (PubChem CID 5323476) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide
PubChem CID5323476
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC Name4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN2O3S/c23-20-10-12-21(13-11-20)29(27,28)25-16-18-6-8-19(9-7-18)22(26)24-15-14-17-4-2-1-3-5-17/h1-5,10-13,18-19,25H,6-9,14-16H2,(H,24,26)
InChIKeyGLKLOADMDLVDJN-UHFFFAOYSA-N
XLogP3.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide (CID 5323476) is 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide is O=C(NCCc1ccccc1)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide?
The InChIKey is GLKLOADMDLVDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c23-20-10-12-21(13-11-20)29(27,28)25-16-18-6-8-19(9-7-18)22(26)24-15-14-17-4-2-1-3-5-17/h1-5,10-13,18-19,25H,6-9,14-16H2,(H,24,26).
What are the key properties of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide?
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide has a molecular weight of 418.53 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 5323476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).