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

C26H26N4O3S — CID 66783092

IUPAC2-(1H-indol-3-yl)acetamide;N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESNC(=O)Cc1c[nH]c2ccccc12.O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C16H16N2O2S.C10H10N2O/c19-21(20,14-6-2-1-3-7-14)18-11-10-13-12-17-16-9-5-4-8-15(13)16;11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-9,12,17-18H,10-11H2;1-4,6,12H,5H2,(H2,11,13)
InChIKeyKZQWYUIGOSFUTP-UHFFFAOYSA-N
MW474.59 g/mol
LogP3.88
Rot. Bonds7

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

2-(1H-indol-3-yl)acetamide;N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 66783092) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)acetamide;N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)acetamide;N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID66783092
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name2-(1H-indol-3-yl)acetamide;N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESNC(=O)Cc1c[nH]c2ccccc12.O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C16H16N2O2S.C10H10N2O/c19-21(20,14-6-2-1-3-7-14)18-11-10-13-12-17-16-9-5-4-8-15(13)16;11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-9,12,17-18H,10-11H2;1-4,6,12H,5H2,(H2,11,13)
InChIKeyKZQWYUIGOSFUTP-UHFFFAOYSA-N
XLogP3.88
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)acetamide;N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-(1H-indol-3-yl)acetamide;N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide (CID 66783092) is 2-(1H-indol-3-yl)acetamide;N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-(1H-indol-3-yl)acetamide;N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-(1H-indol-3-yl)acetamide;N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide is NC(=O)Cc1c[nH]c2ccccc12.O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of 2-(1H-indol-3-yl)acetamide;N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is KZQWYUIGOSFUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S.C10H10N2O/c19-21(20,14-6-2-1-3-7-14)18-11-10-13-12-17-16-9-5-4-8-15(13)16;11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-9,12,17-18H,10-11H2;1-4,6,12H,5H2,(H2,11,13).
What are the key properties of 2-(1H-indol-3-yl)acetamide;N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
2-(1H-indol-3-yl)acetamide;N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 474.59 g/mol, XLogP of 3.88, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)acetamide;N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 66783092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).