2-[2-(2-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(pyridin-3-ylmethyl)acetamide

C22H18FN3OS — CID 50822798

IUPAC2-[2-(2-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1c(Sc2ccccc2F)[nH]c2ccccc12)NCc1cccnc1
InChIInChI=1S/C22H18FN3OS/c23-18-8-2-4-10-20(18)28-22-17(16-7-1-3-9-19(16)26-22)12-21(27)25-14-15-6-5-11-24-13-15/h1-11,13,26H,12,14H2,(H,25,27)
InChIKeyKZJDGXIZQZYNES-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.71
Rot. Bonds6

About 2-[2-(2-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[2-(2-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 50822798) has the molecular formula C22H18FN3OS and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID50822798
Molecular FormulaC22H18FN3OS
Molecular Weight391.47 g/mol
Exact Mass391.12
IUPAC Name2-[2-(2-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1c(Sc2ccccc2F)[nH]c2ccccc12)NCc1cccnc1
InChIInChI=1S/C22H18FN3OS/c23-18-8-2-4-10-20(18)28-22-17(16-7-1-3-9-19(16)26-22)12-21(27)25-14-15-6-5-11-24-13-15/h1-11,13,26H,12,14H2,(H,25,27)
InChIKeyKZJDGXIZQZYNES-UHFFFAOYSA-N
XLogP4.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(pyridin-3-ylmethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide
CID 46328992
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
1-(2-fluorophenyl)sulfanyl-3-pyridin-3-ylpropan-2-one
CID 113446890
2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 21156621
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110496431
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023536
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108985083
3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023616

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-(2-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 50822798) is 2-[2-(2-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(2-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(2-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(pyridin-3-ylmethyl)acetamide is O=C(Cc1c(Sc2ccccc2F)[nH]c2ccccc12)NCc1cccnc1.
What is the InChIKey of 2-[2-(2-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is KZJDGXIZQZYNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3OS/c23-18-8-2-4-10-20(18)28-22-17(16-7-1-3-9-19(16)26-22)12-21(27)25-14-15-6-5-11-24-13-15/h1-11,13,26H,12,14H2,(H,25,27).
What are the key properties of 2-[2-(2-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[2-(2-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 391.47 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 50822798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).