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

C17H15FN2OS — CID 5112696

IUPAC2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide
SMILESNC(=O)CSc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C17H15FN2OS/c18-13-7-5-12(6-8-13)9-20-10-16(22-11-17(19)21)14-3-1-2-4-15(14)20/h1-8,10H,9,11H2,(H2,19,21)
InChIKeyNDGGRVNOOOYYCD-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.41
Rot. Bonds5

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

2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide (PubChem CID 5112696) has the molecular formula C17H15FN2OS and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide
PubChem CID5112696
Molecular FormulaC17H15FN2OS
Molecular Weight314.39 g/mol
Exact Mass314.09
IUPAC Name2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide
SMILESNC(=O)CSc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C17H15FN2OS/c18-13-7-5-12(6-8-13)9-20-10-16(22-11-17(19)21)14-3-1-2-4-15(14)20/h1-8,10H,9,11H2,(H2,19,21)
InChIKeyNDGGRVNOOOYYCD-UHFFFAOYSA-N
XLogP3.41
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(pyridin-2-ylmethyl)-2-(2-thien-2-yl-1H-indol-1-yl)acetamide
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2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide
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CID 6880766
2-(1H-indol-3-ylsulfanyl)aniline
CID 693281
Flipped tryptamine derivative, 10
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2-[(2-methyl-1H-indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 2153508
3-((4-Fluorobenzyl)sulfonyl)-1-methyl-1H-indole
CID 2157568
[2-(3-Benzenesulfonyl-4-fluoro-indol-1-yl)-ethyl]-dimethyl-amine
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{2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-ylsulfanyl]-ethyl}-dimethyl-amine
CID 10736518

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide (CID 5112696) is 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide is NC(=O)CSc1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide?
The InChIKey is NDGGRVNOOOYYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS/c18-13-7-5-12(6-8-13)9-20-10-16(22-11-17(19)21)14-3-1-2-4-15(14)20/h1-8,10H,9,11H2,(H2,19,21).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide?
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide has a molecular weight of 314.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide is sourced from PubChem (CID 5112696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).