4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide

C22H21N3O4S — CID 2120919

IUPAC4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C22H21N3O4S/c26-22(23-12-11-17-14-24-21-6-2-1-5-20(17)21)16-7-9-19(10-8-16)30(27,28)25-15-18-4-3-13-29-18/h1-10,13-14,24-25H,11-12,15H2,(H,23,26)
InChIKeyMAYHCQZMOXKEIU-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.21
Rot. Bonds8

About 4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide

4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 2120919) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID2120919
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C22H21N3O4S/c26-22(23-12-11-17-14-24-21-6-2-1-5-20(17)21)16-7-9-19(10-8-16)30(27,28)25-15-18-4-3-13-29-18/h1-10,13-14,24-25H,11-12,15H2,(H,23,26)
InChIKeyMAYHCQZMOXKEIU-UHFFFAOYSA-N
XLogP3.21
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 2120919) is 4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is MAYHCQZMOXKEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c26-22(23-12-11-17-14-24-21-6-2-1-5-20(17)21)16-7-9-19(10-8-16)30(27,28)25-15-18-4-3-13-29-18/h1-10,13-14,24-25H,11-12,15H2,(H,23,26).
What are the key properties of 4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 423.49 g/mol, XLogP of 3.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 2120919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).