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

C25H23FN2O3S — CID 30292273

IUPACN-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCCc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3cccc(F)c3)c3ccccc32)cc1
InChIInChI=1S/C25H23FN2O3S/c1-2-18-10-12-21(13-11-18)27-25(29)16-28-15-24(22-8-3-4-9-23(22)28)32(30,31)17-19-6-5-7-20(26)14-19/h3-15H,2,16-17H2,1H3,(H,27,29)
InChIKeyUYEOZAYUJVVAMB-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.96
Rot. Bonds7

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

N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide (PubChem CID 30292273) has the molecular formula C25H23FN2O3S and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
PubChem CID30292273
Molecular FormulaC25H23FN2O3S
Molecular Weight450.54 g/mol
Exact Mass450.14
IUPAC NameN-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCCc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3cccc(F)c3)c3ccccc32)cc1
InChIInChI=1S/C25H23FN2O3S/c1-2-18-10-12-21(13-11-18)27-25(29)16-28-15-24(22-8-3-4-9-23(22)28)32(30,31)17-19-6-5-7-20(26)14-19/h3-15H,2,16-17H2,1H3,(H,27,29)
InChIKeyUYEOZAYUJVVAMB-UHFFFAOYSA-N
XLogP4.96
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 ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560337
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 30292300
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
CID 30292020
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
CID 20911248
N-(4-acetylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292492
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 30292321
2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 30292566
N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560732
butyl 4-[[2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate
CID 30560754
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 30560175
2-(3-benzylsulfonylindol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30558781
N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 30292283

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide (CID 30292273) is N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide is CCc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3cccc(F)c3)c3ccccc32)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The InChIKey is UYEOZAYUJVVAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3S/c1-2-18-10-12-21(13-11-18)27-25(29)16-28-15-24(22-8-3-4-9-23(22)28)32(30,31)17-19-6-5-7-20(26)14-19/h3-15H,2,16-17H2,1H3,(H,27,29).
What are the key properties of N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide has a molecular weight of 450.54 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide is sourced from PubChem (CID 30292273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).