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

C21H23FN2O4S — CID 15990844

IUPACN-[(4-fluorophenyl)methyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3ccc(F)cc3)ccc21
InChIInChI=1S/C21H23FN2O4S/c1-2-21(26)24-11-9-16-13-18(7-8-19(16)24)29(27,28)12-10-20(25)23-14-15-3-5-17(22)6-4-15/h3-8,13H,2,9-12,14H2,1H3,(H,23,25)
InChIKeyKJIRCXDONGVMGZ-UHFFFAOYSA-N
MW418.49 g/mol
LogP2.61
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (PubChem CID 15990844) has the molecular formula C21H23FN2O4S and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
PubChem CID15990844
Molecular FormulaC21H23FN2O4S
Molecular Weight418.49 g/mol
Exact Mass418.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3ccc(F)cc3)ccc21
InChIInChI=1S/C21H23FN2O4S/c1-2-21(26)24-11-9-16-13-18(7-8-19(16)24)29(27,28)12-10-20(25)23-14-15-3-5-17(22)6-4-15/h3-8,13H,2,9-12,14H2,1H3,(H,23,25)
InChIKeyKJIRCXDONGVMGZ-UHFFFAOYSA-N
XLogP2.61
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (CID 15990844) is N-[(4-fluorophenyl)methyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3ccc(F)cc3)ccc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The InChIKey is KJIRCXDONGVMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4S/c1-2-21(26)24-11-9-16-13-18(7-8-19(16)24)29(27,28)12-10-20(25)23-14-15-3-5-17(22)6-4-15/h3-8,13H,2,9-12,14H2,1H3,(H,23,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
N-[(4-fluorophenyl)methyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide has a molecular weight of 418.49 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is sourced from PubChem (CID 15990844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).