2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide

C24H21FN2O3S — CID 20911176

IUPAC2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3F)c3ccccc32)c1
InChIInChI=1S/C24H21FN2O3S/c1-17-7-6-9-19(13-17)26-24(28)15-27-14-23(20-10-3-5-12-22(20)27)31(29,30)16-18-8-2-4-11-21(18)25/h2-14H,15-16H2,1H3,(H,26,28)
InChIKeyODAFSOZKNQSWNG-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.70
Rot. Bonds6

About 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide

2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 20911176) has the molecular formula C24H21FN2O3S and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID20911176
Molecular FormulaC24H21FN2O3S
Molecular Weight436.51 g/mol
Exact Mass436.13
IUPAC Name2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3F)c3ccccc32)c1
InChIInChI=1S/C24H21FN2O3S/c1-17-7-6-9-19(13-17)26-24(28)15-27-14-23(20-10-3-5-12-22(20)27)31(29,30)16-18-8-2-4-11-21(18)25/h2-14H,15-16H2,1H3,(H,26,28)
InChIKeyODAFSOZKNQSWNG-UHFFFAOYSA-N
XLogP4.70
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911133
N-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559201
2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 30292624
N-(2,4-difluorophenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911185
N-(4-chloro-2-fluorophenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292105
N-(3-bromophenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559570
N-(3-methylphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563412
N-(2,4-dimethoxyphenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911157
N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560732
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 20911238
2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 30292566
N-(4-chloro-2-fluorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292735

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide (CID 20911176) is 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3F)c3ccccc32)c1.
What is the InChIKey of 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is ODAFSOZKNQSWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3S/c1-17-7-6-9-19(13-17)26-24(28)15-27-14-23(20-10-3-5-12-22(20)27)31(29,30)16-18-8-2-4-11-21(18)25/h2-14H,15-16H2,1H3,(H,26,28).
What are the key properties of 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide?
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 436.51 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 20911176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).