2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide

C25H33FN4O5S2 — CID 99967182

IUPAC2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)CN(C3CCCCC3)S(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C25H33FN4O5S2/c1-28-15-17-29(18-16-28)36(32,33)23-13-9-21(10-14-23)27-25(31)19-30(22-5-3-2-4-6-22)37(34,35)24-11-7-20(26)8-12-24/h7-14,22H,2-6,15-19H2,1H3,(H,27,31)
InChIKeyRTADSBKBWZSOFU-UHFFFAOYSA-N
MW552.69 g/mol
LogP2.72
Rot. Bonds8

About 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide

2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 99967182) has the molecular formula C25H33FN4O5S2 and a molecular weight of 552.69 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID99967182
Molecular FormulaC25H33FN4O5S2
Molecular Weight552.69 g/mol
Exact Mass552.19
IUPAC Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)CN(C3CCCCC3)S(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C25H33FN4O5S2/c1-28-15-17-29(18-16-28)36(32,33)23-13-9-21(10-14-23)27-25(31)19-30(22-5-3-2-4-6-22)37(34,35)24-11-7-20(26)8-12-24/h7-14,22H,2-6,15-19H2,1H3,(H,27,31)
InChIKeyRTADSBKBWZSOFU-UHFFFAOYSA-N
XLogP2.72
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.69
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 1041727
2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 113148937
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 99967521
N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 987644
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(2,4-difluorophenyl)acetamide
CID 126062232
2-[benzenesulfonyl(cyclohexyl)amino]-N-phenylacetamide
CID 45374457
2-[cyclopentyl-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]-N-phenylacetamide
CID 3202258
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 2301485
N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide
CID 9356254
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide
CID 126013240
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 126262098

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide (CID 99967182) is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide is CN1CCN(S(=O)(=O)c2ccc(NC(=O)CN(C3CCCCC3)S(=O)(=O)c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is RTADSBKBWZSOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O5S2/c1-28-15-17-29(18-16-28)36(32,33)23-13-9-21(10-14-23)27-25(31)19-30(22-5-3-2-4-6-22)37(34,35)24-11-7-20(26)8-12-24/h7-14,22H,2-6,15-19H2,1H3,(H,27,31).
What are the key properties of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 552.69 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 99967182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).