N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide

C23H21FN2O4S — CID 166201074

IUPACN-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
SMILESCc1cc(S(=O)(=O)NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c(C)o1
InChIInChI=1S/C23H21FN2O4S/c1-14-13-21(15(2)30-14)31(28,29)26-22(27)12-11-19-18-5-3-4-6-20(18)25-23(19)16-7-9-17(24)10-8-16/h3-10,13,25H,11-12H2,1-2H3,(H,26,27)
InChIKeyXKWZAVQNUJLVLN-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.62
Rot. Bonds6

About N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide

N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide (PubChem CID 166201074) has the molecular formula C23H21FN2O4S and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
PubChem CID166201074
Molecular FormulaC23H21FN2O4S
Molecular Weight440.50 g/mol
Exact Mass440.12
IUPAC NameN-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
SMILESCc1cc(S(=O)(=O)NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c(C)o1
InChIInChI=1S/C23H21FN2O4S/c1-14-13-21(15(2)30-14)31(28,29)26-22(27)12-11-19-18-5-3-4-6-20(18)25-23(19)16-7-9-17(24)10-8-16/h3-10,13,25H,11-12H2,1-2H3,(H,26,27)
InChIKeyXKWZAVQNUJLVLN-UHFFFAOYSA-N
XLogP4.62
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-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-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide?
The IUPAC name of N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide (CID 166201074) is N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide?
The canonical SMILES for N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide is Cc1cc(S(=O)(=O)NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c(C)o1.
What is the InChIKey of N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide?
The InChIKey is XKWZAVQNUJLVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4S/c1-14-13-21(15(2)30-14)31(28,29)26-22(27)12-11-19-18-5-3-4-6-20(18)25-23(19)16-7-9-17(24)10-8-16/h3-10,13,25H,11-12H2,1-2H3,(H,26,27).
What are the key properties of N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide?
N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide has a molecular weight of 440.50 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide is sourced from PubChem (CID 166201074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).