N-[(3-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide

C23H26FN3O3S — CID 20919065

IUPACN-[(3-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide
SMILESCC(C(=O)NCc1cccc(F)c1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H26FN3O3S/c1-17(23(28)25-16-18-6-5-7-20(24)14-18)27-13-10-19-15-21(8-9-22(19)27)31(29,30)26-11-3-2-4-12-26/h5-10,13-15,17H,2-4,11-12,16H2,1H3,(H,25,28)
InChIKeyVPGNIBNLKXJDSJ-UHFFFAOYSA-N
MW443.54 g/mol
LogP3.83
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide

N-[(3-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide (PubChem CID 20919065) has the molecular formula C23H26FN3O3S and a molecular weight of 443.54 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide
PubChem CID20919065
Molecular FormulaC23H26FN3O3S
Molecular Weight443.54 g/mol
Exact Mass443.17
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide
SMILESCC(C(=O)NCc1cccc(F)c1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H26FN3O3S/c1-17(23(28)25-16-18-6-5-7-20(24)14-18)27-13-10-19-15-21(8-9-22(19)27)31(29,30)26-11-3-2-4-12-26/h5-10,13-15,17H,2-4,11-12,16H2,1H3,(H,25,28)
InChIKeyVPGNIBNLKXJDSJ-UHFFFAOYSA-N
XLogP3.83
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide (CID 20919065) is N-[(3-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide is CC(C(=O)NCc1cccc(F)c1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide?
The InChIKey is VPGNIBNLKXJDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3S/c1-17(23(28)25-16-18-6-5-7-20(24)14-18)27-13-10-19-15-21(8-9-22(19)27)31(29,30)26-11-3-2-4-12-26/h5-10,13-15,17H,2-4,11-12,16H2,1H3,(H,25,28).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide?
N-[(3-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide has a molecular weight of 443.54 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide is sourced from PubChem (CID 20919065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).