4-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide

C23H26N4O5S — CID 16813530

IUPAC4-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide
SMILESCCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc21
InChIInChI=1S/C23H26N4O5S/c1-3-26(4-2)22(29)14-27-13-20(18-7-5-6-8-19(18)27)33(31,32)15-21(28)25-17-11-9-16(10-12-17)23(24)30/h5-13H,3-4,14-15H2,1-2H3,(H2,24,30)(H,25,28)
InChIKeySMNUPQIXAYNYQJ-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.02
Rot. Bonds9

About 4-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide

4-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide (PubChem CID 16813530) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 4-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide
PubChem CID16813530
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name4-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide
SMILESCCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc21
InChIInChI=1S/C23H26N4O5S/c1-3-26(4-2)22(29)14-27-13-20(18-7-5-6-8-19(18)27)33(31,32)15-21(28)25-17-11-9-16(10-12-17)23(24)30/h5-13H,3-4,14-15H2,1-2H3,(H2,24,30)(H,25,28)
InChIKeySMNUPQIXAYNYQJ-UHFFFAOYSA-N
XLogP2.02
TPSA131.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide?
The IUPAC name of 4-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide (CID 16813530) is 4-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide is CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc21.
What is the InChIKey of 4-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide?
The InChIKey is SMNUPQIXAYNYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-3-26(4-2)22(29)14-27-13-20(18-7-5-6-8-19(18)27)33(31,32)15-21(28)25-17-11-9-16(10-12-17)23(24)30/h5-13H,3-4,14-15H2,1-2H3,(H2,24,30)(H,25,28).
What are the key properties of 4-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide?
4-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide has a molecular weight of 470.55 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide is sourced from PubChem (CID 16813530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).