N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide

C27H27FN2O2S — CID 23095705

IUPACN-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(SC(C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C27H27FN2O2S/c28-21-11-13-22(14-12-21)30-27(32)25(19-7-3-1-4-8-19)33-24-17-15-23(16-18-24)29-26(31)20-9-5-2-6-10-20/h1,3-4,7-8,11-18,20,25H,2,5-6,9-10H2,(H,29,31)(H,30,32)
InChIKeyOGOSJXKYLIEPHB-UHFFFAOYSA-N
MW462.59 g/mol
LogP6.82
Rot. Bonds7

About N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide

N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide (PubChem CID 23095705) has the molecular formula C27H27FN2O2S and a molecular weight of 462.59 g/mol. Its IUPAC name is N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide
PubChem CID23095705
Molecular FormulaC27H27FN2O2S
Molecular Weight462.59 g/mol
Exact Mass462.18
IUPAC NameN-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(SC(C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C27H27FN2O2S/c28-21-11-13-22(14-12-21)30-27(32)25(19-7-3-1-4-8-19)33-24-17-15-23(16-18-24)29-26(31)20-9-5-2-6-10-20/h1,3-4,7-8,11-18,20,25H,2,5-6,9-10H2,(H,29,31)(H,30,32)
InChIKeyOGOSJXKYLIEPHB-UHFFFAOYSA-N
XLogP6.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 23098886
N-[4-[2-(3-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 22780613
N-[4-[2-(5-chloro-2-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 23100911
N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide
CID 23100207
N-[4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 21168405
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-fluorophenyl)-2-phenylacetamide
CID 3413322
(2R)-N-(4-fluorophenyl)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide
CID 7876820
N-[4-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 19712158
N-(3,5-difluorophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 17271870

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide (CID 23095705) is N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide is O=C(Nc1ccc(SC(C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide?
The InChIKey is OGOSJXKYLIEPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O2S/c28-21-11-13-22(14-12-21)30-27(32)25(19-7-3-1-4-8-19)33-24-17-15-23(16-18-24)29-26(31)20-9-5-2-6-10-20/h1,3-4,7-8,11-18,20,25H,2,5-6,9-10H2,(H,29,31)(H,30,32).
What are the key properties of N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide?
N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide has a molecular weight of 462.59 g/mol, XLogP of 6.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide is sourced from PubChem (CID 23095705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).