N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonylacetamide

C24H21FN2O3S — CID 2157632

IUPACN-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonylacetamide
SMILESCc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C24H21FN2O3S/c1-17-6-2-3-7-18(17)14-27-15-23(21-8-4-5-9-22(21)27)31(29,30)16-24(28)26-20-12-10-19(25)11-13-20/h2-13,15H,14,16H2,1H3,(H,26,28)
InChIKeyINLLWCDAGNELMU-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.55
Rot. Bonds6

About N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonylacetamide

N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonylacetamide (PubChem CID 2157632) has the molecular formula C24H21FN2O3S and a molecular weight of 436.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonylacetamide
PubChem CID2157632
Molecular FormulaC24H21FN2O3S
Molecular Weight436.51 g/mol
Exact Mass436.13
IUPAC NameN-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonylacetamide
SMILESCc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C24H21FN2O3S/c1-17-6-2-3-7-18(17)14-27-15-23(21-8-4-5-9-22(21)27)31(29,30)16-24(28)26-20-12-10-19(25)11-13-20/h2-13,15H,14,16H2,1H3,(H,26,28)
InChIKeyINLLWCDAGNELMU-UHFFFAOYSA-N
XLogP4.55
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-phenylacetamide
CID 2157629
N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide
CID 2157618
2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide
CID 2053134
2-[1-[(2-fluoro-3-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 148746404
ethyl 4-[[2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetyl]amino]benzoate
CID 2157604
N-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559089
N-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559201
methyl 4-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate
CID 30559177
N-(2,4-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide
CID 2157610
N-(4-acetylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292492
N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936113
2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563369

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonylacetamide (CID 2157632) is N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonylacetamide is Cc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonylacetamide?
The InChIKey is INLLWCDAGNELMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3S/c1-17-6-2-3-7-18(17)14-27-15-23(21-8-4-5-9-22(21)27)31(29,30)16-24(28)26-20-12-10-19(25)11-13-20/h2-13,15H,14,16H2,1H3,(H,26,28).
What are the key properties of N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonylacetamide?
N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonylacetamide has a molecular weight of 436.51 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonylacetamide is sourced from PubChem (CID 2157632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).