N-[2-(1H-indol-3-ylsulfanyl)ethyl]-2-phenylacetamide

C18H18N2OS — CID 2156352

IUPACN-[2-(1H-indol-3-ylsulfanyl)ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCSc1c[nH]c2ccccc12
InChIInChI=1S/C18H18N2OS/c21-18(12-14-6-2-1-3-7-14)19-10-11-22-17-13-20-16-9-5-4-8-15(16)17/h1-9,13,20H,10-12H2,(H,19,21)
InChIKeyMHGOOIRAZIEGFV-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.62
Rot. Bonds6

About N-[2-(1H-indol-3-ylsulfanyl)ethyl]-2-phenylacetamide

N-[2-(1H-indol-3-ylsulfanyl)ethyl]-2-phenylacetamide (PubChem CID 2156352) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[2-(1H-indol-3-ylsulfanyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-ylsulfanyl)ethyl]-2-phenylacetamide
PubChem CID2156352
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC NameN-[2-(1H-indol-3-ylsulfanyl)ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCSc1c[nH]c2ccccc12
InChIInChI=1S/C18H18N2OS/c21-18(12-14-6-2-1-3-7-14)19-10-11-22-17-13-20-16-9-5-4-8-15(16)17/h1-9,13,20H,10-12H2,(H,19,21)
InChIKeyMHGOOIRAZIEGFV-UHFFFAOYSA-N
XLogP3.62
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide
CID 2156357
1-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-(1-methylindol-3-yl)urea
CID 18582332
N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide
CID 178070448
N,N-dibenzyl-2-(1H-indol-3-ylsulfanyl)acetamide
CID 164625229
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-ylsulfanyl)acetamide
CID 4608404
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide
CID 8743519
N-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide
CID 47029588
N-[2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 27692653
4-[2-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]benzoic acid
CID 71900120
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
N-[2-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 7097288
hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 70007907

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-ylsulfanyl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(1H-indol-3-ylsulfanyl)ethyl]-2-phenylacetamide (CID 2156352) is N-[2-(1H-indol-3-ylsulfanyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(1H-indol-3-ylsulfanyl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(1H-indol-3-ylsulfanyl)ethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCSc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-ylsulfanyl)ethyl]-2-phenylacetamide?
The InChIKey is MHGOOIRAZIEGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c21-18(12-14-6-2-1-3-7-14)19-10-11-22-17-13-20-16-9-5-4-8-15(16)17/h1-9,13,20H,10-12H2,(H,19,21).
What are the key properties of N-[2-(1H-indol-3-ylsulfanyl)ethyl]-2-phenylacetamide?
N-[2-(1H-indol-3-ylsulfanyl)ethyl]-2-phenylacetamide has a molecular weight of 310.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-ylsulfanyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 2156352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).