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

C19H21N3O3S — CID 113068448

IUPAC2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C19H21N3O3S/c1-26(24,25)22(16-7-3-2-4-8-16)12-11-20-19(23)13-15-14-21-18-10-6-5-9-17(15)18/h2-10,14,21H,11-13H2,1H3,(H,20,23)
InChIKeyWPKJFGBCUWHOOV-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.29
Rot. Bonds7

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

2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide (PubChem CID 113068448) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide
PubChem CID113068448
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C19H21N3O3S/c1-26(24,25)22(16-7-3-2-4-8-16)12-11-20-19(23)13-15-14-21-18-10-6-5-9-17(15)18/h2-10,14,21H,11-13H2,1H3,(H,20,23)
InChIKeyWPKJFGBCUWHOOV-UHFFFAOYSA-N
XLogP2.29
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide
CID 113068984
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide
CID 113068854
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
CID 113071035
N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide
CID 47042094
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113052669
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 47088608
N-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide
CID 47029588
N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide
CID 113064521
2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113152453
hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 70007907
N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide
CID 113070755

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide (CID 113068448) is 2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide is CS(=O)(=O)N(CCNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide?
The InChIKey is WPKJFGBCUWHOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-26(24,25)22(16-7-3-2-4-8-16)12-11-20-19(23)13-15-14-21-18-10-6-5-9-17(15)18/h2-10,14,21H,11-13H2,1H3,(H,20,23).
What are the key properties of 2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide?
2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide has a molecular weight of 371.46 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide is sourced from PubChem (CID 113068448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).