2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide

C27H30FN3O5S2 — CID 3202155

IUPAC2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
SMILESO=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccccc1
InChIInChI=1S/C27H30FN3O5S2/c28-22-13-11-21(12-14-22)19-31(20-27(32)29-23-7-3-1-4-8-23)38(35,36)26-17-15-25(16-18-26)37(33,34)30-24-9-5-2-6-10-24/h1,3-4,7-8,11-18,24,30H,2,5-6,9-10,19-20H2,(H,29,32)
InChIKeyNMLHGNKFXLJVOC-UHFFFAOYSA-N
MW559.69 g/mol
LogP4.27
Rot. Bonds10

About 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide

2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide (PubChem CID 3202155) has the molecular formula C27H30FN3O5S2 and a molecular weight of 559.69 g/mol. Its IUPAC name is 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
PubChem CID3202155
Molecular FormulaC27H30FN3O5S2
Molecular Weight559.69 g/mol
Exact Mass559.16
IUPAC Name2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
SMILESO=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccccc1
InChIInChI=1S/C27H30FN3O5S2/c28-22-13-11-21(12-14-22)19-31(20-27(32)29-23-7-3-1-4-8-23)38(35,36)26-17-15-25(16-18-26)37(33,34)30-24-9-5-2-6-10-24/h1,3-4,7-8,11-18,24,30H,2,5-6,9-10,19-20H2,(H,29,32)
InChIKeyNMLHGNKFXLJVOC-UHFFFAOYSA-N
XLogP4.27
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.69
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
CID 1435666
2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 3213086
2-[[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
CID 98104560
1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide
CID 1176403
2-[(4-methoxyphenyl)methyl-[4-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide
CID 98104564
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide
CID 1281165
1-N-cyclopropyl-4-N-[(4-fluorophenyl)methyl]-4-N-(2-phenylethyl)benzene-1,4-disulfonamide
CID 1176404
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide
CID 3202163
2-[1,3-benzodioxol-5-ylmethyl-[4-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide
CID 98104576

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide?
The IUPAC name of 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide (CID 3202155) is 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide is O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccccc1.
What is the InChIKey of 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide?
The InChIKey is NMLHGNKFXLJVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O5S2/c28-22-13-11-21(12-14-22)19-31(20-27(32)29-23-7-3-1-4-8-23)38(35,36)26-17-15-25(16-18-26)37(33,34)30-24-9-5-2-6-10-24/h1,3-4,7-8,11-18,24,30H,2,5-6,9-10,19-20H2,(H,29,32).
What are the key properties of 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide?
2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide has a molecular weight of 559.69 g/mol, XLogP of 4.27, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide is sourced from PubChem (CID 3202155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).