N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide

C20H17FN4O3S — CID 155561865

IUPACN-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ccc(F)cc23)c(C)[nH]1
InChIInChI=1S/C20H17FN4O3S/c1-12-19(24-20(22-12)23-13(2)26)17-11-25(18-9-8-14(21)10-16(17)18)29(27,28)15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,22,23,24,26)
InChIKeyAGBGFWNSUFXEPK-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.67
Rot. Bonds4

About N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide

N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide (PubChem CID 155561865) has the molecular formula C20H17FN4O3S and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide
PubChem CID155561865
Molecular FormulaC20H17FN4O3S
Molecular Weight412.45 g/mol
Exact Mass412.10
IUPAC NameN-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ccc(F)cc23)c(C)[nH]1
InChIInChI=1S/C20H17FN4O3S/c1-12-19(24-20(22-12)23-13(2)26)17-11-25(18-9-8-14(21)10-16(17)18)29(27,28)15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,22,23,24,26)
InChIKeyAGBGFWNSUFXEPK-UHFFFAOYSA-N
XLogP3.67
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]propanamide
CID 155548275
N-[4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide
CID 155528355
2-amino-5-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]phenol
CID 118382516
dimethyl 3,4-bis[1-(benzenesulfonyl)indol-3-yl]-1H-pyrrole-2,5-dicarboxylate
CID 45103267
3-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]propanoic acid
CID 18449979
1-(benzenesulfonyl)-5-fluoroindole-3-carbaldehyde
CID 151908022
2-[[5-[1-(benzenesulfonyl)indol-3-yl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 71694975
methyl 2-[[5-[1-(benzenesulfonyl)indol-3-yl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate
CID 71694964
4-[1-(benzenesulfonyl)indol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride
CID 155534152
[2-[2-amino-5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]anilino]-2-oxoethyl]carbamic acid
CID 118386337
2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]ethylcarbamic acid
CID 118064766
1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole
CID 70700794

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide?
The IUPAC name of N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide (CID 155561865) is N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide?
The canonical SMILES for N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide is CC(=O)Nc1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ccc(F)cc23)c(C)[nH]1.
What is the InChIKey of N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide?
The InChIKey is AGBGFWNSUFXEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3S/c1-12-19(24-20(22-12)23-13(2)26)17-11-25(18-9-8-14(21)10-16(17)18)29(27,28)15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,22,23,24,26).
What are the key properties of N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide?
N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide has a molecular weight of 412.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide is sourced from PubChem (CID 155561865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).