N-[(3S)-2-oxo-1-(2-phenylsulfanylethyl)-3H-indol-3-yl]acetamide

C18H18N2O2S — CID 915465

IUPACN-[(3S)-2-oxo-1-(2-phenylsulfanylethyl)-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(CCSc2ccccc2)c2ccccc21
InChIInChI=1S/C18H18N2O2S/c1-13(21)19-17-15-9-5-6-10-16(15)20(18(17)22)11-12-23-14-7-3-2-4-8-14/h2-10,17H,11-12H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyCNZHVISLCNIPQF-KRWDZBQOSA-N
MW326.42 g/mol
LogP3.00
Rot. Bonds5

About N-[(3S)-2-oxo-1-(2-phenylsulfanylethyl)-3H-indol-3-yl]acetamide

N-[(3S)-2-oxo-1-(2-phenylsulfanylethyl)-3H-indol-3-yl]acetamide (PubChem CID 915465) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(3S)-2-oxo-1-(2-phenylsulfanylethyl)-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-2-oxo-1-(2-phenylsulfanylethyl)-3H-indol-3-yl]acetamide
PubChem CID915465
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-[(3S)-2-oxo-1-(2-phenylsulfanylethyl)-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(CCSc2ccccc2)c2ccccc21
InChIInChI=1S/C18H18N2O2S/c1-13(21)19-17-15-9-5-6-10-16(15)20(18(17)22)11-12-23-14-7-3-2-4-8-14/h2-10,17H,11-12H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyCNZHVISLCNIPQF-KRWDZBQOSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178324
N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide
CID 720059
N-[(3R)-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178325
N-[(3S)-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178326
N-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7447200
N-[(3R)-1-[3-(4-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178364
N-(1-benzyl-2-oxo-3H-indol-3-yl)-2-phenylsulfanylacetamide
CID 56691002
(2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid
CID 69107894
N-[(3S)-5-methyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 942909
N-[(3R)-5-methyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 942908
N-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 7707518
N-[(3R)-5-fluoro-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 7677929

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxo-1-(2-phenylsulfanylethyl)-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-2-oxo-1-(2-phenylsulfanylethyl)-3H-indol-3-yl]acetamide (CID 915465) is N-[(3S)-2-oxo-1-(2-phenylsulfanylethyl)-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-2-oxo-1-(2-phenylsulfanylethyl)-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-2-oxo-1-(2-phenylsulfanylethyl)-3H-indol-3-yl]acetamide is CC(=O)N[C@@H]1C(=O)N(CCSc2ccccc2)c2ccccc21.
What is the InChIKey of N-[(3S)-2-oxo-1-(2-phenylsulfanylethyl)-3H-indol-3-yl]acetamide?
The InChIKey is CNZHVISLCNIPQF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-13(21)19-17-15-9-5-6-10-16(15)20(18(17)22)11-12-23-14-7-3-2-4-8-14/h2-10,17H,11-12H2,1H3,(H,19,21)/t17-/m0/s1.
What are the key properties of N-[(3S)-2-oxo-1-(2-phenylsulfanylethyl)-3H-indol-3-yl]acetamide?
N-[(3S)-2-oxo-1-(2-phenylsulfanylethyl)-3H-indol-3-yl]acetamide has a molecular weight of 326.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxo-1-(2-phenylsulfanylethyl)-3H-indol-3-yl]acetamide is sourced from PubChem (CID 915465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).