N-(3-fluoro-4-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide

C21H23FN2O4S — CID 3236315

IUPACN-(3-fluoro-4-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(C)c(F)c3)ccc21
InChIInChI=1S/C21H23FN2O4S/c1-3-21(26)24-10-8-15-12-17(6-7-19(15)24)29(27,28)11-9-20(25)23-16-5-4-14(2)18(22)13-16/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,25)
InChIKeyGZLTYVJMRBUHFL-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.24
Rot. Bonds6

About N-(3-fluoro-4-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide

N-(3-fluoro-4-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (PubChem CID 3236315) has the molecular formula C21H23FN2O4S and a molecular weight of 418.49 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
PubChem CID3236315
Molecular FormulaC21H23FN2O4S
Molecular Weight418.49 g/mol
Exact Mass418.14
IUPAC NameN-(3-fluoro-4-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(C)c(F)c3)ccc21
InChIInChI=1S/C21H23FN2O4S/c1-3-21(26)24-10-8-15-12-17(6-7-19(15)24)29(27,28)11-9-20(25)23-16-5-4-14(2)18(22)13-16/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,25)
InChIKeyGZLTYVJMRBUHFL-UHFFFAOYSA-N
XLogP3.24
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (CID 3236315) is N-(3-fluoro-4-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(C)c(F)c3)ccc21.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The InChIKey is GZLTYVJMRBUHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4S/c1-3-21(26)24-10-8-15-12-17(6-7-19(15)24)29(27,28)11-9-20(25)23-16-5-4-14(2)18(22)13-16/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,25).
What are the key properties of N-(3-fluoro-4-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
N-(3-fluoro-4-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide has a molecular weight of 418.49 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is sourced from PubChem (CID 3236315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).