N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide

C25H23FN2O3S — CID 30292283

IUPACN-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cn1cc(S(=O)(=O)Cc2cccc(F)c2)c2ccccc21)c1ccccc1
InChIInChI=1S/C25H23FN2O3S/c1-2-28(21-11-4-3-5-12-21)25(29)17-27-16-24(22-13-6-7-14-23(22)27)32(30,31)18-19-9-8-10-20(26)15-19/h3-16H,2,17-18H2,1H3
InChIKeyUEDSBKFWAJLMFW-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.81
Rot. Bonds7

About N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide

N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide (PubChem CID 30292283) has the molecular formula C25H23FN2O3S and a molecular weight of 450.54 g/mol. Its IUPAC name is N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
PubChem CID30292283
Molecular FormulaC25H23FN2O3S
Molecular Weight450.54 g/mol
Exact Mass450.14
IUPAC NameN-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cn1cc(S(=O)(=O)Cc2cccc(F)c2)c2ccccc21)c1ccccc1
InChIInChI=1S/C25H23FN2O3S/c1-2-28(21-11-4-3-5-12-21)25(29)17-27-16-24(22-13-6-7-14-23(22)27)32(30,31)18-19-9-8-10-20(26)15-19/h3-16H,2,17-18H2,1H3
InChIKeyUEDSBKFWAJLMFW-UHFFFAOYSA-N
XLogP4.81
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide 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-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide?
The IUPAC name of N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide (CID 30292283) is N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide is CCN(C(=O)Cn1cc(S(=O)(=O)Cc2cccc(F)c2)c2ccccc21)c1ccccc1.
What is the InChIKey of N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide?
The InChIKey is UEDSBKFWAJLMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3S/c1-2-28(21-11-4-3-5-12-21)25(29)17-27-16-24(22-13-6-7-14-23(22)27)32(30,31)18-19-9-8-10-20(26)15-19/h3-16H,2,17-18H2,1H3.
What are the key properties of N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide?
N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide has a molecular weight of 450.54 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 30292283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).