N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide

C24H22FN3O5S — CID 50824356

IUPACN-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1cc2c(cc1S(=O)(=O)c1ccc(F)cc1)n(C)c(=O)n2C
InChIInChI=1S/C24H22FN3O5S/c1-15-6-4-5-7-21(15)33-14-23(29)26-18-12-19-20(28(3)24(30)27(19)2)13-22(18)34(31,32)17-10-8-16(25)9-11-17/h4-13H,14H2,1-3H3,(H,26,29)
InChIKeyMEIRYRMXUILICP-UHFFFAOYSA-N
MW483.52 g/mol
LogP3.17
Rot. Bonds6

About N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide

N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 50824356) has the molecular formula C24H22FN3O5S and a molecular weight of 483.52 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide
PubChem CID50824356
Molecular FormulaC24H22FN3O5S
Molecular Weight483.52 g/mol
Exact Mass483.13
IUPAC NameN-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1cc2c(cc1S(=O)(=O)c1ccc(F)cc1)n(C)c(=O)n2C
InChIInChI=1S/C24H22FN3O5S/c1-15-6-4-5-7-21(15)33-14-23(29)26-18-12-19-20(28(3)24(30)27(19)2)13-22(18)34(31,32)17-10-8-16(25)9-11-17/h4-13H,14H2,1-3H3,(H,26,29)
InChIKeyMEIRYRMXUILICP-UHFFFAOYSA-N
XLogP3.17
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide (CID 50824356) is N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1cc2c(cc1S(=O)(=O)c1ccc(F)cc1)n(C)c(=O)n2C.
What is the InChIKey of N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is MEIRYRMXUILICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O5S/c1-15-6-4-5-7-21(15)33-14-23(29)26-18-12-19-20(28(3)24(30)27(19)2)13-22(18)34(31,32)17-10-8-16(25)9-11-17/h4-13H,14H2,1-3H3,(H,26,29).
What are the key properties of N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide?
N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 483.52 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 50824356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).