N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide

C21H25FN2O3S — CID 9356254

IUPACN-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1
InChIInChI=1S/C21H25FN2O3S/c1-16(25)23-19-11-13-21(14-12-19)28(26,27)24(20-5-3-2-4-6-20)15-17-7-9-18(22)10-8-17/h7-14,20H,2-6,15H2,1H3,(H,23,25)
InChIKeyYIWMTKRZUXFGHA-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.31
Rot. Bonds6

About N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide

N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide (PubChem CID 9356254) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide
PubChem CID9356254
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC NameN-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1
InChIInChI=1S/C21H25FN2O3S/c1-16(25)23-19-11-13-21(14-12-19)28(26,27)24(20-5-3-2-4-6-20)15-17-7-9-18(22)10-8-17/h7-14,20H,2-6,15H2,1H3,(H,23,25)
InChIKeyYIWMTKRZUXFGHA-UHFFFAOYSA-N
XLogP4.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide
CID 47082304
N-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 26531285
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 99967182
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 31075628
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
N-[4-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylsulfamoyl]phenyl]acetamide
CID 4677133
N-[4-[4-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]phenyl]acetamide
CID 166288275
N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide
CID 17358750
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 7656086
4-[(4-fluorophenyl)methyl-(oxan-4-yl)sulfamoyl]benzoic acid
CID 167922314
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 1041727
2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 113148937

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide (CID 9356254) is N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1.
What is the InChIKey of N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide?
The InChIKey is YIWMTKRZUXFGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c1-16(25)23-19-11-13-21(14-12-19)28(26,27)24(20-5-3-2-4-6-20)15-17-7-9-18(22)10-8-17/h7-14,20H,2-6,15H2,1H3,(H,23,25).
What are the key properties of N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide?
N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 9356254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).