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

C25H23ClN2O3S — CID 20911211

IUPAC2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)Cn1cc(S(=O)(=O)Cc2cccc(Cl)c2)c2ccccc21)c1ccccc1
InChIInChI=1S/C25H23ClN2O3S/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
InChIKeyZAVLVIXPGAIGBG-UHFFFAOYSA-N
MW466.99 g/mol
LogP5.32
Rot. Bonds7

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

2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-ethyl-N-phenylacetamide (PubChem CID 20911211) has the molecular formula C25H23ClN2O3S and a molecular weight of 466.99 g/mol. Its IUPAC name is 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-ethyl-N-phenylacetamide
PubChem CID20911211
Molecular FormulaC25H23ClN2O3S
Molecular Weight466.99 g/mol
Exact Mass466.11
IUPAC Name2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)Cn1cc(S(=O)(=O)Cc2cccc(Cl)c2)c2ccccc21)c1ccccc1
InChIInChI=1S/C25H23ClN2O3S/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
InChIKeyZAVLVIXPGAIGBG-UHFFFAOYSA-N
XLogP5.32
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.99
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 30292283
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
CID 20911196
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide
CID 20911230
2-[3-[(3,4-dichlorophenyl)methylsulfonyl]indol-1-yl]-N,N-diethylacetamide
CID 16834478
N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292117
2-(3-benzylsulfonylindol-1-yl)-N-butyl-N-ethylacetamide
CID 30558551
N,N-dibenzyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560042
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20911233
2-(3-benzylsulfonylindol-1-yl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 54589374
N-benzyl-2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-N-ethylacetamide
CID 30292178
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 20911218
N-butyl-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
CID 30560884

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-ethyl-N-phenylacetamide (CID 20911211) is 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-ethyl-N-phenylacetamide is CCN(C(=O)Cn1cc(S(=O)(=O)Cc2cccc(Cl)c2)c2ccccc21)c1ccccc1.
What is the InChIKey of 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-ethyl-N-phenylacetamide?
The InChIKey is ZAVLVIXPGAIGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3S/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 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-ethyl-N-phenylacetamide?
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-ethyl-N-phenylacetamide has a molecular weight of 466.99 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 20911211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).