N-(1-benzyl-2-oxo-3H-indol-3-yl)-2-phenylsulfanylacetamide

C23H20N2O2S — CID 56691002

IUPACN-(1-benzyl-2-oxo-3H-indol-3-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC1C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C23H20N2O2S/c26-21(16-28-18-11-5-2-6-12-18)24-22-19-13-7-8-14-20(19)25(23(22)27)15-17-9-3-1-4-10-17/h1-14,22H,15-16H2,(H,24,26)
InChIKeyBBUMWCVYTKYZFJ-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.18
Rot. Bonds6

About N-(1-benzyl-2-oxo-3H-indol-3-yl)-2-phenylsulfanylacetamide

N-(1-benzyl-2-oxo-3H-indol-3-yl)-2-phenylsulfanylacetamide (PubChem CID 56691002) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(1-benzyl-2-oxo-3H-indol-3-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-benzyl-2-oxo-3H-indol-3-yl)-2-phenylsulfanylacetamide
PubChem CID56691002
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-(1-benzyl-2-oxo-3H-indol-3-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC1C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C23H20N2O2S/c26-21(16-28-18-11-5-2-6-12-18)24-22-19-13-7-8-14-20(19)25(23(22)27)15-17-9-3-1-4-10-17/h1-14,22H,15-16H2,(H,24,26)
InChIKeyBBUMWCVYTKYZFJ-UHFFFAOYSA-N
XLogP4.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide
CID 720059
N-[(3S)-2-oxo-1-(2-phenylsulfanylethyl)-3H-indol-3-yl]acetamide
CID 915465
N-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide
CID 2711857
N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178339
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
1-benzyl-3-(2-oxobutyl)-3H-indol-2-one
CID 53381662
(2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid
CID 69107894
1-benzyl-3-methoxy-3H-indol-2-one
CID 134908410
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylsulfanylacetamide
CID 114302120
2-phenylsulfanyl-N-[(2R)-2-[(2-phenylsulfanylacetyl)amino]cyclohexyl]acetamide
CID 126728987
N-(1-benzyl-5,7-dimethyl-2-oxo-3H-indol-3-yl)acetamide
CID 2967336

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-oxo-3H-indol-3-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(1-benzyl-2-oxo-3H-indol-3-yl)-2-phenylsulfanylacetamide (CID 56691002) is N-(1-benzyl-2-oxo-3H-indol-3-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(1-benzyl-2-oxo-3H-indol-3-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(1-benzyl-2-oxo-3H-indol-3-yl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NC1C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of N-(1-benzyl-2-oxo-3H-indol-3-yl)-2-phenylsulfanylacetamide?
The InChIKey is BBUMWCVYTKYZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c26-21(16-28-18-11-5-2-6-12-18)24-22-19-13-7-8-14-20(19)25(23(22)27)15-17-9-3-1-4-10-17/h1-14,22H,15-16H2,(H,24,26).
What are the key properties of N-(1-benzyl-2-oxo-3H-indol-3-yl)-2-phenylsulfanylacetamide?
N-(1-benzyl-2-oxo-3H-indol-3-yl)-2-phenylsulfanylacetamide has a molecular weight of 388.49 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-oxo-3H-indol-3-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 56691002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).