2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C17H25N3O3S — CID 113148681

IUPAC2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCCC(C)N(CC(=O)NCCc1c[nH]c2ccccc12)S(C)(=O)=O
InChIInChI=1S/C17H25N3O3S/c1-4-13(2)20(24(3,22)23)12-17(21)18-10-9-14-11-19-16-8-6-5-7-15(14)16/h5-8,11,13,19H,4,9-10,12H2,1-3H3,(H,18,21)
InChIKeyVUWOTNAQYLXGPT-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.89
Rot. Bonds8

About 2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 113148681) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID113148681
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCCC(C)N(CC(=O)NCCc1c[nH]c2ccccc12)S(C)(=O)=O
InChIInChI=1S/C17H25N3O3S/c1-4-13(2)20(24(3,22)23)12-17(21)18-10-9-14-11-19-16-8-6-5-7-15(14)16/h5-8,11,13,19H,4,9-10,12H2,1-3H3,(H,18,21)
InChIKeyVUWOTNAQYLXGPT-UHFFFAOYSA-N
XLogP1.89
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153236
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
2-[acetyl(cyclopropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113158350
3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110343313
2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113152453
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 110335644
2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide
CID 113067812
N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993944
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 50787570
N-[2-(1H-indol-3-yl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 17470412
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 113148681) is 2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide is CCC(C)N(CC(=O)NCCc1c[nH]c2ccccc12)S(C)(=O)=O.
What is the InChIKey of 2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is VUWOTNAQYLXGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-4-13(2)20(24(3,22)23)12-17(21)18-10-9-14-11-19-16-8-6-5-7-15(14)16/h5-8,11,13,19H,4,9-10,12H2,1-3H3,(H,18,21).
What are the key properties of 2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 351.47 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 113148681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).