2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide

C23H30FN3O5S2 — CID 100791052

IUPAC2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H30FN3O5S2/c1-17-9-12-21(33(29,30)26(2)3)15-22(17)25-23(28)16-27(19-7-5-4-6-8-19)34(31,32)20-13-10-18(24)11-14-20/h9-15,19H,4-8,16H2,1-3H3,(H,25,28)
InChIKeyBCIGRDLQMDZJSY-UHFFFAOYSA-N
MW511.64 g/mol
LogP3.35
Rot. Bonds8

About 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide

2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide (PubChem CID 100791052) has the molecular formula C23H30FN3O5S2 and a molecular weight of 511.64 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
PubChem CID100791052
Molecular FormulaC23H30FN3O5S2
Molecular Weight511.64 g/mol
Exact Mass511.16
IUPAC Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H30FN3O5S2/c1-17-9-12-21(33(29,30)26(2)3)15-22(17)25-23(28)16-27(19-7-5-4-6-8-19)34(31,32)20-13-10-18(24)11-14-20/h9-15,19H,4-8,16H2,1-3H3,(H,25,28)
InChIKeyBCIGRDLQMDZJSY-UHFFFAOYSA-N
XLogP3.35
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.64
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 1041727
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100795192
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide
CID 1002059
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100793296
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4550149
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethylphenyl)acetamide
CID 126371932
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-pentylacetamide
CID 21380505
N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 987644
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100792145
4-[cyclohexyl(methyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 60616670

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
The IUPAC name of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide (CID 100791052) is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
The InChIKey is BCIGRDLQMDZJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O5S2/c1-17-9-12-21(33(29,30)26(2)3)15-22(17)25-23(28)16-27(19-7-5-4-6-8-19)34(31,32)20-13-10-18(24)11-14-20/h9-15,19H,4-8,16H2,1-3H3,(H,25,28).
What are the key properties of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide has a molecular weight of 511.64 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 100791052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).