N-(1H-indazol-6-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide

C23H22N4O4S — CID 2359068

IUPACN-(1H-indazol-6-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc4cn[nH]c4c3)cc2)cc1
InChIInChI=1S/C23H22N4O4S/c1-16-3-11-21(12-4-16)32(29,30)27(2)19-7-9-20(10-8-19)31-15-23(28)25-18-6-5-17-14-24-26-22(17)13-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyBDBDZLDBXQSAEY-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.71
Rot. Bonds7

About N-(1H-indazol-6-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide

N-(1H-indazol-6-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (PubChem CID 2359068) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
PubChem CID2359068
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC NameN-(1H-indazol-6-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc4cn[nH]c4c3)cc2)cc1
InChIInChI=1S/C23H22N4O4S/c1-16-3-11-21(12-4-16)32(29,30)27(2)19-7-9-20(10-8-19)31-15-23(28)25-18-6-5-17-14-24-26-22(17)13-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyBDBDZLDBXQSAEY-UHFFFAOYSA-N
XLogP3.71
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247226
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
CID 17247012
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 17247227
N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247189
2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2107143
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 55571488
N-cyclopropyl-3-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzamide
CID 27447560
N-(2,4-dimethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247228
N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 2332931
2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid
CID 4839549
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
N,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide
CID 24542946

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The IUPAC name of N-(1H-indazol-6-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (CID 2359068) is N-(1H-indazol-6-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc4cn[nH]c4c3)cc2)cc1.
What is the InChIKey of N-(1H-indazol-6-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The InChIKey is BDBDZLDBXQSAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-16-3-11-21(12-4-16)32(29,30)27(2)19-7-9-20(10-8-19)31-15-23(28)25-18-6-5-17-14-24-26-22(17)13-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,28).
What are the key properties of N-(1H-indazol-6-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
N-(1H-indazol-6-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide has a molecular weight of 450.52 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 2359068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).