N-(2,4-difluorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide

C19H16F2N4O3S — CID 20949910

IUPACN-(2,4-difluorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C19H16F2N4O3S/c20-14-5-6-16(15(21)9-14)23-18(26)10-24-11-19(22-12-24)29(27,28)25-8-7-13-3-1-2-4-17(13)25/h1-6,9,11-12H,7-8,10H2,(H,23,26)
InChIKeyHIMOFIHXEIACEO-UHFFFAOYSA-N
MW418.43 g/mol
LogP2.55
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide

N-(2,4-difluorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide (PubChem CID 20949910) has the molecular formula C19H16F2N4O3S and a molecular weight of 418.43 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide
PubChem CID20949910
Molecular FormulaC19H16F2N4O3S
Molecular Weight418.43 g/mol
Exact Mass418.09
IUPAC NameN-(2,4-difluorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C19H16F2N4O3S/c20-14-5-6-16(15(21)9-14)23-18(26)10-24-11-19(22-12-24)29(27,28)25-8-7-13-3-1-2-4-17(13)25/h1-6,9,11-12H,7-8,10H2,(H,23,26)
InChIKeyHIMOFIHXEIACEO-UHFFFAOYSA-N
XLogP2.55
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947087
N-(3-chlorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide
CID 20949899
2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 20949888
N-[(4-chlorophenyl)methyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide
CID 20949902
2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 20949960
N-(4-bromo-2-fluorophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
CID 20949786
N-(2,4-difluorophenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 126458852
N-(4-fluoro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
CID 20949705
N-(2,4-difluorophenyl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide
CID 53178247
N-(2,4-difluorophenyl)-2-[8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 53142388
2-(2,3-dihydroindol-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 18084883
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 22519166

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide (CID 20949910) is N-(2,4-difluorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide is O=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide?
The InChIKey is HIMOFIHXEIACEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3S/c20-14-5-6-16(15(21)9-14)23-18(26)10-24-11-19(22-12-24)29(27,28)25-8-7-13-3-1-2-4-17(13)25/h1-6,9,11-12H,7-8,10H2,(H,23,26).
What are the key properties of N-(2,4-difluorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide?
N-(2,4-difluorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide has a molecular weight of 418.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 20949910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).