2-ethoxy-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide

C23H22N4O4S — CID 67453950

IUPAC2-ethoxy-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
SMILESCCOC(C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)c1ccccc1
InChIInChI=1S/C23H22N4O4S/c1-2-31-22(15-7-4-3-5-8-15)23(28)25-17-11-12-20-19(14-17)21(27-26-20)16-9-6-10-18(13-16)32(24,29)30/h3-14,22H,2H2,1H3,(H,25,28)(H,26,27)(H2,24,29,30)
InChIKeyPFTCMOKYWFJFQE-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.59
Rot. Bonds7

About 2-ethoxy-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide

2-ethoxy-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide (PubChem CID 67453950) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is 2-ethoxy-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide.

Molecular Properties

Compound Name2-ethoxy-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
PubChem CID67453950
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC Name2-ethoxy-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
SMILESCCOC(C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)c1ccccc1
InChIInChI=1S/C23H22N4O4S/c1-2-31-22(15-7-4-3-5-8-15)23(28)25-17-11-12-20-19(14-17)21(27-26-20)16-9-6-10-18(13-16)32(24,29)30/h3-14,22H,2H2,1H3,(H,25,28)(H,26,27)(H2,24,29,30)
InChIKeyPFTCMOKYWFJFQE-UHFFFAOYSA-N
XLogP3.59
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
The IUPAC name of 2-ethoxy-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide (CID 67453950) is 2-ethoxy-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide.
What is the SMILES notation for 2-ethoxy-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
The canonical SMILES for 2-ethoxy-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide is CCOC(C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)c1ccccc1.
What is the InChIKey of 2-ethoxy-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
The InChIKey is PFTCMOKYWFJFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-2-31-22(15-7-4-3-5-8-15)23(28)25-17-11-12-20-19(14-17)21(27-26-20)16-9-6-10-18(13-16)32(24,29)30/h3-14,22H,2H2,1H3,(H,25,28)(H,26,27)(H2,24,29,30).
What are the key properties of 2-ethoxy-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
2-ethoxy-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide has a molecular weight of 450.52 g/mol, XLogP of 3.59, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide is sourced from PubChem (CID 67453950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).