N-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide

C24H20F2N2O3S — CID 30559201

IUPACN-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCc1ccccc1CS(=O)(=O)c1cn(CC(=O)Nc2ccc(F)c(F)c2)c2ccccc12
InChIInChI=1S/C24H20F2N2O3S/c1-16-6-2-3-7-17(16)15-32(30,31)23-13-28(22-9-5-4-8-19(22)23)14-24(29)27-18-10-11-20(25)21(26)12-18/h2-13H,14-15H2,1H3,(H,27,29)
InChIKeyJLJWBXPUGKXMCW-UHFFFAOYSA-N
MW454.50 g/mol
LogP4.84
Rot. Bonds6

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

N-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide (PubChem CID 30559201) has the molecular formula C24H20F2N2O3S and a molecular weight of 454.50 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
PubChem CID30559201
Molecular FormulaC24H20F2N2O3S
Molecular Weight454.50 g/mol
Exact Mass454.12
IUPAC NameN-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCc1ccccc1CS(=O)(=O)c1cn(CC(=O)Nc2ccc(F)c(F)c2)c2ccccc12
InChIInChI=1S/C24H20F2N2O3S/c1-16-6-2-3-7-17(16)15-32(30,31)23-13-28(22-9-5-4-8-19(22)23)14-24(29)27-18-10-11-20(25)21(26)12-18/h2-13H,14-15H2,1H3,(H,27,29)
InChIKeyJLJWBXPUGKXMCW-UHFFFAOYSA-N
XLogP4.84
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methylphenyl)acetamide
CID 20911176
methyl 4-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate
CID 30559177
2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 30292624
N-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559089
2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide
CID 30559286
N-(4-chloro-2-fluorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292735
N-(4-chloro-2-fluorophenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292105
N-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292716
N-(2,4-difluorophenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911185
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 20911238
N-(4-bromo-3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559630
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
CID 20911248

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide (CID 30559201) is N-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide is Cc1ccccc1CS(=O)(=O)c1cn(CC(=O)Nc2ccc(F)c(F)c2)c2ccccc12.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The InChIKey is JLJWBXPUGKXMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O3S/c1-16-6-2-3-7-17(16)15-32(30,31)23-13-28(22-9-5-4-8-19(22)23)14-24(29)27-18-10-11-20(25)21(26)12-18/h2-13H,14-15H2,1H3,(H,27,29).
What are the key properties of N-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide?
N-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide has a molecular weight of 454.50 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide is sourced from PubChem (CID 30559201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).