N-[4-[[[4-(4-methylsulfonylphenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide

C23H22N4O4S — CID 11476467

IUPACN-[4-[[[4-(4-methylsulfonylphenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2n[nH]c3cccc(Oc4ccc(S(C)(=O)=O)cc4)c23)cc1
InChIInChI=1S/C23H22N4O4S/c1-15(28)25-17-8-6-16(7-9-17)14-24-23-22-20(26-27-23)4-3-5-21(22)31-18-10-12-19(13-11-18)32(2,29)30/h3-13H,14H2,1-2H3,(H,25,28)(H2,24,26,27)
InChIKeyZVFDFWFNVMWGJU-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.33
Rot. Bonds7

About N-[4-[[[4-(4-methylsulfonylphenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide

N-[4-[[[4-(4-methylsulfonylphenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide (PubChem CID 11476467) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-[4-[[[4-(4-methylsulfonylphenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[4-(4-methylsulfonylphenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide
PubChem CID11476467
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC NameN-[4-[[[4-(4-methylsulfonylphenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2n[nH]c3cccc(Oc4ccc(S(C)(=O)=O)cc4)c23)cc1
InChIInChI=1S/C23H22N4O4S/c1-15(28)25-17-8-6-16(7-9-17)14-24-23-22-20(26-27-23)4-3-5-21(22)31-18-10-12-19(13-11-18)32(2,29)30/h3-13H,14H2,1-2H3,(H,25,28)(H2,24,26,27)
InChIKeyZVFDFWFNVMWGJU-UHFFFAOYSA-N
XLogP4.33
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[[[4-(4-methylsulfonylphenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide with MolForge

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Related Compounds

n-(2,5-Dimethoxybenzyl)-4-[4-(methylsulfonyl)phenoxy]-1h-indazol-3-amine
CID 11236353
N-[4-({[4-(4-fluorophenoxy)-1H-indazol-3-yl]amino}methyl)phenyl]acetamide
CID 11269297
N-(4-{[(4-phenoxy-1H-indazol-3-yl)amino]methyl}phenyl)acetamide
CID 11257276
N-[5-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]-1H-indazol-3-yl]acetamide
CID 177245207
2-(4-fluorophenyl)sulfanyl-N-(6-methoxy-1H-indazol-3-yl)propanamide
CID 145900922
N-[1-(2-methoxyphenyl)ethyl]-4-phenoxy-1H-indazol-3-amine
CID 11282867
N-[[3-[[4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide
CID 56849264
4-[4-(Methylsulfonyl)phenoxy]-1h-indazol-3-amine
CID 69940697
N-(1-benzyl-6-isopropoxy-1H-indazol-3-yl)-2-(methylsulfonyl)acetamide
CID 70752532
1-(1H-indazol-3-yl)-N-(2-((4-methoxyphenyl)sulfonyl)ethyl)-5-oxopyrrolidine-3-carboxamide
CID 71701544
(3R)-1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide
CID 97263742
(3S)-1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide
CID 97263743

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[4-(4-methylsulfonylphenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[4-(4-methylsulfonylphenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide (CID 11476467) is N-[4-[[[4-(4-methylsulfonylphenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[4-(4-methylsulfonylphenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[4-(4-methylsulfonylphenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNc2n[nH]c3cccc(Oc4ccc(S(C)(=O)=O)cc4)c23)cc1.
What is the InChIKey of N-[4-[[[4-(4-methylsulfonylphenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide?
The InChIKey is ZVFDFWFNVMWGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-15(28)25-17-8-6-16(7-9-17)14-24-23-22-20(26-27-23)4-3-5-21(22)31-18-10-12-19(13-11-18)32(2,29)30/h3-13H,14H2,1-2H3,(H,25,28)(H2,24,26,27).
What are the key properties of N-[4-[[[4-(4-methylsulfonylphenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide?
N-[4-[[[4-(4-methylsulfonylphenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide has a molecular weight of 450.52 g/mol, XLogP of 4.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[4-(4-methylsulfonylphenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 11476467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).