N-(2,6-difluorophenyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide

C22H24F2N4O3S2 — CID 16514918

IUPACN-(2,6-difluorophenyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)Nc2c(F)cccc2F)nc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C22H24F2N4O3S2/c1-2-28-19-10-9-15(33(30,31)27-11-4-3-5-12-27)13-18(19)25-22(28)32-14-20(29)26-21-16(23)7-6-8-17(21)24/h6-10,13H,2-5,11-12,14H2,1H3,(H,26,29)
InChIKeyBROANWMCPXIQNU-UHFFFAOYSA-N
MW494.59 g/mol
LogP4.24
Rot. Bonds7

About N-(2,6-difluorophenyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide

N-(2,6-difluorophenyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 16514918) has the molecular formula C22H24F2N4O3S2 and a molecular weight of 494.59 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID16514918
Molecular FormulaC22H24F2N4O3S2
Molecular Weight494.59 g/mol
Exact Mass494.13
IUPAC NameN-(2,6-difluorophenyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)Nc2c(F)cccc2F)nc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C22H24F2N4O3S2/c1-2-28-19-10-9-15(33(30,31)27-11-4-3-5-12-27)13-18(19)25-22(28)32-14-20(29)26-21-16(23)7-6-8-17(21)24/h6-10,13H,2-5,11-12,14H2,1H3,(H,26,29)
InChIKeyBROANWMCPXIQNU-UHFFFAOYSA-N
XLogP4.24
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide
CID 16514877
N-carbamoyl-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
CID 16514893
2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 4826957
2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 16514875
2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 17449106
2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-phenylethanone
CID 17391703
2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethylacetamide
CID 7625078
2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 16592981
N-(3,5-dimethylphenyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
CID 16510205
N-(2,6-difluorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7246603
N-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
CID 46787462
N-cyclohexyl-3-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide
CID 55481888

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide (CID 16514918) is N-(2,6-difluorophenyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide is CCn1c(SCC(=O)Nc2c(F)cccc2F)nc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is BROANWMCPXIQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O3S2/c1-2-28-19-10-9-15(33(30,31)27-11-4-3-5-12-27)13-18(19)25-22(28)32-14-20(29)26-21-16(23)7-6-8-17(21)24/h6-10,13H,2-5,11-12,14H2,1H3,(H,26,29).
What are the key properties of N-(2,6-difluorophenyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide?
N-(2,6-difluorophenyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 494.59 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 16514918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).