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

C22H24FN3O3S — CID 20919046

IUPACN-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
SMILESCC(C(=O)NCc1cccc(F)c1)n1ccc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C22H24FN3O3S/c1-16(22(27)24-15-17-5-4-6-19(23)13-17)26-12-9-18-14-20(7-8-21(18)26)30(28,29)25-10-2-3-11-25/h4-9,12-14,16H,2-3,10-11,15H2,1H3,(H,24,27)
InChIKeyAPFXEBCQRDKFJI-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.44
Rot. Bonds6

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

N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide (PubChem CID 20919046) has the molecular formula C22H24FN3O3S and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
PubChem CID20919046
Molecular FormulaC22H24FN3O3S
Molecular Weight429.52 g/mol
Exact Mass429.15
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
SMILESCC(C(=O)NCc1cccc(F)c1)n1ccc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C22H24FN3O3S/c1-16(22(27)24-15-17-5-4-6-19(23)13-17)26-12-9-18-14-20(7-8-21(18)26)30(28,29)25-10-2-3-11-25/h4-9,12-14,16H,2-3,10-11,15H2,1H3,(H,24,27)
InChIKeyAPFXEBCQRDKFJI-UHFFFAOYSA-N
XLogP3.44
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.44
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-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide (CID 20919046) is N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide is CC(C(=O)NCc1cccc(F)c1)n1ccc2cc(S(=O)(=O)N3CCCC3)ccc21.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
The InChIKey is APFXEBCQRDKFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3S/c1-16(22(27)24-15-17-5-4-6-19(23)13-17)26-12-9-18-14-20(7-8-21(18)26)30(28,29)25-10-2-3-11-25/h4-9,12-14,16H,2-3,10-11,15H2,1H3,(H,24,27).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide has a molecular weight of 429.52 g/mol, XLogP of 3.44, 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-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide is sourced from PubChem (CID 20919046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).