1-acetyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

C20H23FN2O3S2 — CID 55508288

IUPAC1-acetyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCSCc3ccccc3F)cc2CC1C
InChIInChI=1S/C20H23FN2O3S2/c1-14-11-17-12-18(7-8-20(17)23(14)15(2)24)28(25,26)22-9-10-27-13-16-5-3-4-6-19(16)21/h3-8,12,14,22H,9-11,13H2,1-2H3
InChIKeyUEDSIQXVYAJHSH-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.33
Rot. Bonds7

About 1-acetyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 55508288) has the molecular formula C20H23FN2O3S2 and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-acetyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID55508288
Molecular FormulaC20H23FN2O3S2
Molecular Weight422.55 g/mol
Exact Mass422.11
IUPAC Name1-acetyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCSCc3ccccc3F)cc2CC1C
InChIInChI=1S/C20H23FN2O3S2/c1-14-11-17-12-18(7-8-20(17)23(14)15(2)24)28(25,26)22-9-10-27-13-16-5-3-4-6-19(16)21/h3-8,12,14,22H,9-11,13H2,1-2H3
InChIKeyUEDSIQXVYAJHSH-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
1-acetyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55511773
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-phenylethyl)propanamide
CID 92687862
1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 43053461
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 97024862
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 38002704
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 46274855
1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51299300
(2S)-1-acetyl-2-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 92687840
1-acetyl-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 53086202
(2S)-1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 31844201

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 55508288) is 1-acetyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)NCCSCc3ccccc3F)cc2CC1C.
What is the InChIKey of 1-acetyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is UEDSIQXVYAJHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S2/c1-14-11-17-12-18(7-8-20(17)23(14)15(2)24)28(25,26)22-9-10-27-13-16-5-3-4-6-19(16)21/h3-8,12,14,22H,9-11,13H2,1-2H3.
What are the key properties of 1-acetyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 422.55 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55508288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).