3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide

C20H21FN2O4S — CID 15997792

IUPAC3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3ccc(F)cc3)ccc21
InChIInChI=1S/C20H21FN2O4S/c1-14(24)23-10-8-16-12-18(6-7-19(16)23)28(26,27)11-9-20(25)22-13-15-2-4-17(21)5-3-15/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyZXDNEZYDLMCUAT-UHFFFAOYSA-N
MW404.46 g/mol
LogP2.21
Rot. Bonds6

About 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide

3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 15997792) has the molecular formula C20H21FN2O4S and a molecular weight of 404.46 g/mol. Its IUPAC name is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID15997792
Molecular FormulaC20H21FN2O4S
Molecular Weight404.46 g/mol
Exact Mass404.12
IUPAC Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3ccc(F)cc3)ccc21
InChIInChI=1S/C20H21FN2O4S/c1-14(24)23-10-8-16-12-18(6-7-19(16)23)28(26,27)11-9-20(25)22-13-15-2-4-17(21)5-3-15/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyZXDNEZYDLMCUAT-UHFFFAOYSA-N
XLogP2.21
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide (CID 15997792) is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide is CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3ccc(F)cc3)ccc21.
What is the InChIKey of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is ZXDNEZYDLMCUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4S/c1-14(24)23-10-8-16-12-18(6-7-19(16)23)28(26,27)11-9-20(25)22-13-15-2-4-17(21)5-3-15/h2-7,12H,8-11,13H2,1H3,(H,22,25).
What are the key properties of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide?
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 404.46 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 15997792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).