2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide

C19H19FN2OS — CID 4649358

IUPAC2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCn1cc(SCC(=O)NCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C19H19FN2OS/c1-2-22-12-18(16-5-3-4-6-17(16)22)24-13-19(23)21-11-14-7-9-15(20)10-8-14/h3-10,12H,2,11,13H2,1H3,(H,21,23)
InChIKeyRTQVJTBGIBBYRE-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.21
Rot. Bonds6

About 2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide

2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 4649358) has the molecular formula C19H19FN2OS and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID4649358
Molecular FormulaC19H19FN2OS
Molecular Weight342.44 g/mol
Exact Mass342.12
IUPAC Name2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCn1cc(SCC(=O)NCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C19H19FN2OS/c1-2-22-12-18(16-5-3-4-6-17(16)22)24-13-19(23)21-11-14-7-9-15(20)10-8-14/h3-10,12H,2,11,13H2,1H3,(H,21,23)
InChIKeyRTQVJTBGIBBYRE-UHFFFAOYSA-N
XLogP4.21
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide
CID 5163816
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-ethylindol-3-yl)sulfanylacetamide
CID 5070966
2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3325904
2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902366
4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide
CID 22522951
ethyl 2-(1-ethylindol-3-yl)sulfanylacetate
CID 43949356
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
ethyl 4-[[2-(1-ethylindol-3-yl)sulfanylacetyl]amino]benzoate
CID 3420060
3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42801286
2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3621175
1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 18582399
2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 6409204

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide (CID 4649358) is 2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide is CCn1cc(SCC(=O)NCc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is RTQVJTBGIBBYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2OS/c1-2-22-12-18(16-5-3-4-6-17(16)22)24-13-19(23)21-11-14-7-9-15(20)10-8-14/h3-10,12H,2,11,13H2,1H3,(H,21,23).
What are the key properties of 2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide?
2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 4649358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).