2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide

C18H18N2OS — CID 3325904

IUPAC2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide
SMILESCCn1cc(SCC(=O)Nc2ccccc2)c2ccccc21
InChIInChI=1S/C18H18N2OS/c1-2-20-12-17(15-10-6-7-11-16(15)20)22-13-18(21)19-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,19,21)
InChIKeyGGVORHLVFJNBQX-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.39
Rot. Bonds5

About 2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide

2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide (PubChem CID 3325904) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide
PubChem CID3325904
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide
SMILESCCn1cc(SCC(=O)Nc2ccccc2)c2ccccc21
InChIInChI=1S/C18H18N2OS/c1-2-20-12-17(15-10-6-7-11-16(15)20)22-13-18(21)19-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,19,21)
InChIKeyGGVORHLVFJNBQX-UHFFFAOYSA-N
XLogP4.39
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3439437
ethyl 4-[[2-(1-ethylindol-3-yl)sulfanylacetyl]amino]benzoate
CID 3420060
2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3621175
2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide
CID 6624315
2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 4649358
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
ethyl 2-(1-ethylindol-3-yl)sulfanylacetate
CID 43949356
2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902343
N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide
CID 5163816
N-[2-[3-(2-anilino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3,4-dimethylbenzamide
CID 4199283
2-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902363

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of 2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide (CID 3325904) is 2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide is CCn1cc(SCC(=O)Nc2ccccc2)c2ccccc21.
What is the InChIKey of 2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide?
The InChIKey is GGVORHLVFJNBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-2-20-12-17(15-10-6-7-11-16(15)20)22-13-18(21)19-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,19,21).
What are the key properties of 2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide?
2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide has a molecular weight of 310.42 g/mol, XLogP of 4.39, 5 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-phenylacetamide is sourced from PubChem (CID 3325904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).