N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide

C24H28FN3O4S — CID 50824365

IUPACN-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)C3CCCCC3)c(NC(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C24H28FN3O4S/c1-3-27-20-14-19(26-23(29)16-10-12-17(25)13-11-16)22(15-21(20)28(4-2)24(27)30)33(31,32)18-8-6-5-7-9-18/h10-15,18H,3-9H2,1-2H3,(H,26,29)
InChIKeyXSAOUGUSNYGNHU-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.34
Rot. Bonds6

About N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide

N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide (PubChem CID 50824365) has the molecular formula C24H28FN3O4S and a molecular weight of 473.57 g/mol. Its IUPAC name is N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
PubChem CID50824365
Molecular FormulaC24H28FN3O4S
Molecular Weight473.57 g/mol
Exact Mass473.18
IUPAC NameN-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)C3CCCCC3)c(NC(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C24H28FN3O4S/c1-3-27-20-14-19(26-23(29)16-10-12-17(25)13-11-16)22(15-21(20)28(4-2)24(27)30)33(31,32)18-8-6-5-7-9-18/h10-15,18H,3-9H2,1-2H3,(H,26,29)
InChIKeyXSAOUGUSNYGNHU-UHFFFAOYSA-N
XLogP4.34
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide
CID 50824132
N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)acetamide
CID 50824412
N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)acetamide
CID 50824133
N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide
CID 50824374
4-chloro-N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 50824181
N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide
CID 50824815
N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(trifluoromethyl)benzamide
CID 50824372
N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824163
N-(7-cyclohexylsulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-(4-methylphenyl)acetamide
CID 50824157
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide
CID 24789878
6-cyclopentylsulfonyl-N-(4-fluorophenyl)-1-hydroxypyridin-1-ium-3-carboxamide
CID 70908562
4-[cyclohexyl(methyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 60616670

Frequently Asked Questions

What is the IUPAC name of N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide?
The IUPAC name of N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide (CID 50824365) is N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide?
The canonical SMILES for N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide is CCn1c(=O)n(CC)c2cc(S(=O)(=O)C3CCCCC3)c(NC(=O)c3ccc(F)cc3)cc21.
What is the InChIKey of N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide?
The InChIKey is XSAOUGUSNYGNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O4S/c1-3-27-20-14-19(26-23(29)16-10-12-17(25)13-11-16)22(15-21(20)28(4-2)24(27)30)33(31,32)18-8-6-5-7-9-18/h10-15,18H,3-9H2,1-2H3,(H,26,29).
What are the key properties of N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide?
N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide has a molecular weight of 473.57 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide is sourced from PubChem (CID 50824365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).