N-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide

C20H22N2O3S — CID 47029588

IUPACN-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCCS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C20H22N2O3S/c23-20(13-17-14-22-19-10-5-4-9-18(17)19)21-11-6-12-26(24,25)15-16-7-2-1-3-8-16/h1-5,7-10,14,22H,6,11-13,15H2,(H,21,23)
InChIKeyNNYNCCCXTAZALG-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.83
Rot. Bonds8

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

N-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide (PubChem CID 47029588) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide
PubChem CID47029588
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCCS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C20H22N2O3S/c23-20(13-17-14-22-19-10-5-4-9-18(17)19)21-11-6-12-26(24,25)15-16-7-2-1-3-8-16/h1-5,7-10,14,22H,6,11-13,15H2,(H,21,23)
InChIKeyNNYNCCCXTAZALG-UHFFFAOYSA-N
XLogP2.83
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 70007907
N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide
CID 178070448
N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide
CID 113256112
N-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide
CID 144920872
4-[2-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]benzoic acid
CID 71900120
N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide
CID 47042094
N-[2-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 7097288
N-(3-ethenoxypropyl)-2-(1H-indol-3-yl)acetamide
CID 60654256
2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide
CID 113068448
N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 71932055
2-(1H-indol-3-yl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439707
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473

Frequently Asked Questions

What is the IUPAC name of N-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide (CID 47029588) is N-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)NCCCS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is NNYNCCCXTAZALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-20(13-17-14-22-19-10-5-4-9-18(17)19)21-11-6-12-26(24,25)15-16-7-2-1-3-8-16/h1-5,7-10,14,22H,6,11-13,15H2,(H,21,23).
What are the key properties of N-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide?
N-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 370.47 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 47029588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).