N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide

C22H24FN3O3S — CID 20919035

IUPACN-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
SMILESCC(C(=O)NCc1ccc(F)cc1)n1ccc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C22H24FN3O3S/c1-16(22(27)24-15-17-4-6-19(23)7-5-17)26-13-10-18-14-20(8-9-21(18)26)30(28,29)25-11-2-3-12-25/h4-10,13-14,16H,2-3,11-12,15H2,1H3,(H,24,27)
InChIKeyRDXGKUJBVLPUTN-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.44
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide

N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide (PubChem CID 20919035) has the molecular formula C22H24FN3O3S and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
PubChem CID20919035
Molecular FormulaC22H24FN3O3S
Molecular Weight429.52 g/mol
Exact Mass429.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
SMILESCC(C(=O)NCc1ccc(F)cc1)n1ccc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C22H24FN3O3S/c1-16(22(27)24-15-17-4-6-19(23)7-5-17)26-13-10-18-14-20(8-9-21(18)26)30(28,29)25-11-2-3-12-25/h4-10,13-14,16H,2-3,11-12,15H2,1H3,(H,24,27)
InChIKeyRDXGKUJBVLPUTN-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

Analyze N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide (CID 20919035) is N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide is CC(C(=O)NCc1ccc(F)cc1)n1ccc2cc(S(=O)(=O)N3CCCC3)ccc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
The InChIKey is RDXGKUJBVLPUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3S/c1-16(22(27)24-15-17-4-6-19(23)7-5-17)26-13-10-18-14-20(8-9-21(18)26)30(28,29)25-11-2-3-12-25/h4-10,13-14,16H,2-3,11-12,15H2,1H3,(H,24,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
N-[(4-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-[(4-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide is sourced from PubChem (CID 20919035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).