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

C25H23FN2O3S — CID 30559089

IUPACN-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCc1ccccc1CS(=O)(=O)c1cn(CC(=O)NCc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C25H23FN2O3S/c1-18-6-2-3-7-20(18)17-32(30,31)24-15-28(23-9-5-4-8-22(23)24)16-25(29)27-14-19-10-12-21(26)13-11-19/h2-13,15H,14,16-17H2,1H3,(H,27,29)
InChIKeyNPZSZVKQDHRREE-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.38
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide (PubChem CID 30559089) has the molecular formula C25H23FN2O3S and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
PubChem CID30559089
Molecular FormulaC25H23FN2O3S
Molecular Weight450.54 g/mol
Exact Mass450.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCc1ccccc1CS(=O)(=O)c1cn(CC(=O)NCc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C25H23FN2O3S/c1-18-6-2-3-7-20(18)17-32(30,31)24-15-28(23-9-5-4-8-22(23)24)16-25(29)27-14-19-10-12-21(26)13-11-19/h2-13,15H,14,16-17H2,1H3,(H,27,29)
InChIKeyNPZSZVKQDHRREE-UHFFFAOYSA-N
XLogP4.38
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559201
2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30560690
2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 30559058
2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide
CID 30559286
N-[(2-chlorophenyl)methyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911124
N-(2,5-dimethylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292470
2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 30560697
N-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958367
methyl 4-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate
CID 30559177
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[(4-fluorophenyl)methyl]acetamide
CID 18563610
N-(4-acetylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292492
N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonylacetamide
CID 2157632

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide (CID 30559089) is N-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide is Cc1ccccc1CS(=O)(=O)c1cn(CC(=O)NCc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The InChIKey is NPZSZVKQDHRREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3S/c1-18-6-2-3-7-20(18)17-32(30,31)24-15-28(23-9-5-4-8-22(23)24)16-25(29)27-14-19-10-12-21(26)13-11-19/h2-13,15H,14,16-17H2,1H3,(H,27,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide has a molecular weight of 450.54 g/mol, XLogP of 4.38, 7 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-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide is sourced from PubChem (CID 30559089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).