N-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide

C23H18BrFN2OS — CID 4608403

IUPACN-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide
SMILESO=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)Nc1ccc(Br)cc1
InChIInChI=1S/C23H18BrFN2OS/c24-17-8-10-19(11-9-17)26-23(28)15-29-22-14-27(21-7-2-1-6-20(21)22)13-16-4-3-5-18(25)12-16/h1-12,14H,13,15H2,(H,26,28)
InChIKeyAIGURQPEHHBFIO-UHFFFAOYSA-N
MW469.38 g/mol
LogP6.32
Rot. Bonds6

About N-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide

N-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide (PubChem CID 4608403) has the molecular formula C23H18BrFN2OS and a molecular weight of 469.38 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide
PubChem CID4608403
Molecular FormulaC23H18BrFN2OS
Molecular Weight469.38 g/mol
Exact Mass468.03
IUPAC NameN-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide
SMILESO=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)Nc1ccc(Br)cc1
InChIInChI=1S/C23H18BrFN2OS/c24-17-8-10-19(11-9-17)26-23(28)15-29-22-14-27(21-7-2-1-6-20(21)22)13-16-4-3-5-18(25)12-16/h1-12,14H,13,15H2,(H,26,28)
InChIKeyAIGURQPEHHBFIO-UHFFFAOYSA-N
XLogP6.32
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.38
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide
CID 4581043
2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4126627
2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3439437
2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3621175
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-1-phenylethanone
CID 4141723
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 5055902
1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole
CID 5077989
N-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4192226
2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4294472
2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902343
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 23794200
N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591716

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide (CID 4608403) is N-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide is O=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide?
The InChIKey is AIGURQPEHHBFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrFN2OS/c24-17-8-10-19(11-9-17)26-23(28)15-29-22-14-27(21-7-2-1-6-20(21)22)13-16-4-3-5-18(25)12-16/h1-12,14H,13,15H2,(H,26,28).
What are the key properties of N-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide?
N-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide has a molecular weight of 469.38 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide is sourced from PubChem (CID 4608403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).