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

C24H20F2N2O3S — CID 30560665

IUPACN-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)NCc1ccc(F)cc1
InChIInChI=1S/C24H20F2N2O3S/c25-19-9-5-17(6-10-19)13-27-24(29)15-28-14-23(21-3-1-2-4-22(21)28)32(30,31)16-18-7-11-20(26)12-8-18/h1-12,14H,13,15-16H2,(H,27,29)
InChIKeyDLNVQPWSOFIKGL-UHFFFAOYSA-N
MW454.50 g/mol
LogP4.21
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide (PubChem CID 30560665) has the molecular formula C24H20F2N2O3S and a molecular weight of 454.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
PubChem CID30560665
Molecular FormulaC24H20F2N2O3S
Molecular Weight454.50 g/mol
Exact Mass454.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)NCc1ccc(F)cc1
InChIInChI=1S/C24H20F2N2O3S/c25-19-9-5-17(6-10-19)13-27-24(29)15-28-14-23(21-3-1-2-4-22(21)28)32(30,31)16-18-7-11-20(26)12-8-18/h1-12,14H,13,15-16H2,(H,27,29)
InChIKeyDLNVQPWSOFIKGL-UHFFFAOYSA-N
XLogP4.21
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide (CID 30560665) is N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide is O=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The InChIKey is DLNVQPWSOFIKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O3S/c25-19-9-5-17(6-10-19)13-27-24(29)15-28-14-23(21-3-1-2-4-22(21)28)32(30,31)16-18-7-11-20(26)12-8-18/h1-12,14H,13,15-16H2,(H,27,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide has a molecular weight of 454.50 g/mol, XLogP of 4.21, 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-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide is sourced from PubChem (CID 30560665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).