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

C21H19FN4O3S — CID 155548275

IUPACN-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ccc(F)cc23)c(C)[nH]1
InChIInChI=1S/C21H19FN4O3S/c1-3-19(27)24-21-23-13(2)20(25-21)17-12-26(18-10-9-14(22)11-16(17)18)30(28,29)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H2,23,24,25,27)
InChIKeyTUEMKIYKYXEZDB-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.06
Rot. Bonds5

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

N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]propanamide (PubChem CID 155548275) has the molecular formula C21H19FN4O3S and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]propanamide
PubChem CID155548275
Molecular FormulaC21H19FN4O3S
Molecular Weight426.47 g/mol
Exact Mass426.12
IUPAC NameN-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ccc(F)cc23)c(C)[nH]1
InChIInChI=1S/C21H19FN4O3S/c1-3-19(27)24-21-23-13(2)20(25-21)17-12-26(18-10-9-14(22)11-16(17)18)30(28,29)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H2,23,24,25,27)
InChIKeyTUEMKIYKYXEZDB-UHFFFAOYSA-N
XLogP4.06
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.06
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]acetamide
CID 155561865
N-[4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide
CID 155528355
3-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]propanoic acid
CID 18449979
2-amino-5-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]phenol
CID 118382516
4-[1-(benzenesulfonyl)indol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride
CID 155534152
methyl 2-[[5-[1-(benzenesulfonyl)indol-3-yl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate
CID 71694964
2-[[5-[1-(benzenesulfonyl)indol-3-yl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 71694975
[2-[2-amino-5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]anilino]-2-oxoethyl]carbamic acid
CID 118386337
dimethyl 3,4-bis[1-(benzenesulfonyl)indol-3-yl]-1H-pyrrole-2,5-dicarboxylate
CID 45103267
1-(benzenesulfonyl)-5-fluoroindole-3-carbaldehyde
CID 151908022
2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]ethylcarbamic acid
CID 118064766
ethyl 2-[[5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-2-pyridinyl]amino]butanoate;hydrochloride
CID 118292990

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]propanamide?
The IUPAC name of N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]propanamide (CID 155548275) is N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]propanamide.
What is the SMILES notation for N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]propanamide?
The canonical SMILES for N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]propanamide is CCC(=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]propanamide?
The InChIKey is TUEMKIYKYXEZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3S/c1-3-19(27)24-21-23-13(2)20(25-21)17-12-26(18-10-9-14(22)11-16(17)18)30(28,29)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H2,23,24,25,27).
What are the key properties of N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]propanamide?
N-[4-[1-(benzenesulfonyl)-5-fluoroindol-3-yl]-5-methyl-1H-imidazol-2-yl]propanamide has a molecular weight of 426.47 g/mol, XLogP of 4.06, 5 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]propanamide is sourced from PubChem (CID 155548275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).