2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide

C16H23N3O4S — CID 113152453

IUPAC2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(CCc1c[nH]c2ccccc12)S(C)(=O)=O
InChIInChI=1S/C16H23N3O4S/c1-23-10-8-17-16(20)12-19(24(2,21)22)9-7-13-11-18-15-6-4-3-5-14(13)15/h3-6,11,18H,7-10,12H2,1-2H3,(H,17,20)
InChIKeyGPLAZFZPTVWPSF-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.73
Rot. Bonds9

About 2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide

2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 113152453) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
PubChem CID113152453
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(CCc1c[nH]c2ccccc12)S(C)(=O)=O
InChIInChI=1S/C16H23N3O4S/c1-23-10-8-17-16(20)12-19(24(2,21)22)9-7-13-11-18-15-6-4-3-5-14(13)15/h3-6,11,18H,7-10,12H2,1-2H3,(H,17,20)
InChIKeyGPLAZFZPTVWPSF-UHFFFAOYSA-N
XLogP0.73
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153236
2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide
CID 113067812
N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
CID 113152451
N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
CID 113152503
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960167
N-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide
CID 113140591
2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113148681
3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113116924
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113153556
2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide
CID 113068448

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide (CID 113152453) is 2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(CCc1c[nH]c2ccccc12)S(C)(=O)=O.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is GPLAZFZPTVWPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-23-10-8-17-16(20)12-19(24(2,21)22)9-7-13-11-18-15-6-4-3-5-14(13)15/h3-6,11,18H,7-10,12H2,1-2H3,(H,17,20).
What are the key properties of 2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide?
2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 353.44 g/mol, XLogP of 0.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 113152453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).