2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide

C22H25F3N2O4S — CID 28548612

IUPAC2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C2CCCCC2)cc1
InChIInChI=1S/C22H25F3N2O4S/c1-2-31-16-8-10-17(11-9-16)32(29,30)27(15-6-4-3-5-7-15)14-20(28)26-19-13-12-18(23)21(24)22(19)25/h8-13,15H,2-7,14H2,1H3,(H,26,28)
InChIKeyDXRDXCXCPKTBPL-UHFFFAOYSA-N
MW470.51 g/mol
LogP4.46
Rot. Bonds8

About 2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 28548612) has the molecular formula C22H25F3N2O4S and a molecular weight of 470.51 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID28548612
Molecular FormulaC22H25F3N2O4S
Molecular Weight470.51 g/mol
Exact Mass470.15
IUPAC Name2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C2CCCCC2)cc1
InChIInChI=1S/C22H25F3N2O4S/c1-2-31-16-8-10-17(11-9-16)32(29,30)27(15-6-4-3-5-7-15)14-20(28)26-19-13-12-18(23)21(24)22(19)25/h8-13,15H,2-7,14H2,1H3,(H,26,28)
InChIKeyDXRDXCXCPKTBPL-UHFFFAOYSA-N
XLogP4.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[(4-ethoxyphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26055395
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]acetamide
CID 28548561
2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401577
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(2,4-difluorophenyl)acetamide
CID 126062232
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2,4-difluorophenyl)acetamide
CID 1330856
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(2-ethoxyphenyl)acetamide
CID 987652
2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28548598
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide
CID 1002059
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 21373188
2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
CID 10807240
methyl 4-[[2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetyl]amino]benzoate
CID 2909473
N-cyclopentyl-4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788659

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 28548612) is 2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C2CCCCC2)cc1.
What is the InChIKey of 2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is DXRDXCXCPKTBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O4S/c1-2-31-16-8-10-17(11-9-16)32(29,30)27(15-6-4-3-5-7-15)14-20(28)26-19-13-12-18(23)21(24)22(19)25/h8-13,15H,2-7,14H2,1H3,(H,26,28).
What are the key properties of 2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 470.51 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 28548612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).