2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide

C15H20N2O2S — CID 115667804

IUPAC2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide
SMILESCC(CCS(C)=O)NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O2S/c1-11(7-8-20(2)19)17-15(18)9-12-10-16-14-6-4-3-5-13(12)14/h3-6,10-11,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyJAFPFMWDRGFZIL-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.98
Rot. Bonds6

About 2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide

2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide (PubChem CID 115667804) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide
PubChem CID115667804
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide
SMILESCC(CCS(C)=O)NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O2S/c1-11(7-8-20(2)19)17-15(18)9-12-10-16-14-6-4-3-5-13(12)14/h3-6,10-11,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyJAFPFMWDRGFZIL-UHFFFAOYSA-N
XLogP1.98
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-ethoxypropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 47903557
N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide
CID 114389821
(2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate
CID 7678364
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfinylbutanoic acid
CID 91746296
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689
2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17427007
N-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 65190802
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide (CID 115667804) is 2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide is CC(CCS(C)=O)NC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide?
The InChIKey is JAFPFMWDRGFZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11(7-8-20(2)19)17-15(18)9-12-10-16-14-6-4-3-5-13(12)14/h3-6,10-11,16H,7-9H2,1-2H3,(H,17,18).
What are the key properties of 2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide?
2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide has a molecular weight of 292.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide is sourced from PubChem (CID 115667804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).