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

C24H27F2N3O4S — CID 50824132

IUPACN-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)C3CCCCC3)c(NC(=O)c3c(F)cccc3F)cc21
InChIInChI=1S/C24H27F2N3O4S/c1-3-28-19-13-18(27-23(30)22-16(25)11-8-12-17(22)26)21(14-20(19)29(4-2)24(28)31)34(32,33)15-9-6-5-7-10-15/h8,11-15H,3-7,9-10H2,1-2H3,(H,27,30)
InChIKeySGBNIUFZRKKGQV-UHFFFAOYSA-N
MW491.56 g/mol
LogP4.48
Rot. Bonds6

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

N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide (PubChem CID 50824132) has the molecular formula C24H27F2N3O4S and a molecular weight of 491.56 g/mol. Its IUPAC name is N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide
PubChem CID50824132
Molecular FormulaC24H27F2N3O4S
Molecular Weight491.56 g/mol
Exact Mass491.17
IUPAC NameN-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)C3CCCCC3)c(NC(=O)c3c(F)cccc3F)cc21
InChIInChI=1S/C24H27F2N3O4S/c1-3-28-19-13-18(27-23(30)22-16(25)11-8-12-17(22)26)21(14-20(19)29(4-2)24(28)31)34(32,33)15-9-6-5-7-10-15/h8,11-15H,3-7,9-10H2,1-2H3,(H,27,30)
InChIKeySGBNIUFZRKKGQV-UHFFFAOYSA-N
XLogP4.48
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide?
The IUPAC name of N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide (CID 50824132) is N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide is CCn1c(=O)n(CC)c2cc(S(=O)(=O)C3CCCCC3)c(NC(=O)c3c(F)cccc3F)cc21.
What is the InChIKey of N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide?
The InChIKey is SGBNIUFZRKKGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O4S/c1-3-28-19-13-18(27-23(30)22-16(25)11-8-12-17(22)26)21(14-20(19)29(4-2)24(28)31)34(32,33)15-9-6-5-7-10-15/h8,11-15H,3-7,9-10H2,1-2H3,(H,27,30).
What are the key properties of N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide?
N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide has a molecular weight of 491.56 g/mol, XLogP of 4.48, 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)-2,6-difluorobenzamide is sourced from PubChem (CID 50824132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).