N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide

C25H22F2N2O3S — CID 70169296

IUPACN-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C25H22F2N2O3S/c1-28(14-18-6-10-20(26)11-7-18)25(30)16-29-15-24(22-4-2-3-5-23(22)29)33(31,32)17-19-8-12-21(27)13-9-19/h2-13,15H,14,16-17H2,1H3
InChIKeySORPQMVENVZYPF-UHFFFAOYSA-N
MW468.53 g/mol
LogP4.55
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide

N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide (PubChem CID 70169296) has the molecular formula C25H22F2N2O3S and a molecular weight of 468.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
PubChem CID70169296
Molecular FormulaC25H22F2N2O3S
Molecular Weight468.53 g/mol
Exact Mass468.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C25H22F2N2O3S/c1-28(14-18-6-10-20(26)11-7-18)25(30)16-29-15-24(22-4-2-3-5-23(22)29)33(31,32)17-19-8-12-21(27)13-9-19/h2-13,15H,14,16-17H2,1H3
InChIKeySORPQMVENVZYPF-UHFFFAOYSA-N
XLogP4.55
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-benzylsulfonylindol-1-yl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 54589374
N,N-dibenzyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560042
2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide
CID 16935296
N-butyl-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
CID 30560884
N-(4-acetylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292492
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide
CID 16935905
2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 43958432
1-(2,3-dihydroindol-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone
CID 30292449
N-(2,5-dimethylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292470
N-benzyl-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-propan-2-ylacetamide
CID 30559684
2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30560690
N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 30292283

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide (CID 70169296) is N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide is CN(Cc1ccc(F)cc1)C(=O)Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide?
The InChIKey is SORPQMVENVZYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2O3S/c1-28(14-18-6-10-20(26)11-7-18)25(30)16-29-15-24(22-4-2-3-5-23(22)29)33(31,32)17-19-8-12-21(27)13-9-19/h2-13,15H,14,16-17H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide?
N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide has a molecular weight of 468.53 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide is sourced from PubChem (CID 70169296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).