3-pyridin-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

C21H16N4O4S2 — CID 90596616

IUPAC3-pyridin-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C21H16N4O4S2/c26-20(15-4-3-5-17(14-15)29-19-6-1-2-11-22-19)24-16-7-9-18(10-8-16)31(27,28)25-21-23-12-13-30-21/h1-14H,(H,23,25)(H,24,26)
InChIKeyICDNRYDPAYDBKC-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.38
Rot. Bonds7

About 3-pyridin-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

3-pyridin-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 90596616) has the molecular formula C21H16N4O4S2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 3-pyridin-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-pyridin-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
PubChem CID90596616
Molecular FormulaC21H16N4O4S2
Molecular Weight452.52 g/mol
Exact Mass452.06
IUPAC Name3-pyridin-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C21H16N4O4S2/c26-20(15-4-3-5-17(14-15)29-19-6-1-2-11-22-19)24-16-7-9-18(10-8-16)31(27,28)25-21-23-12-13-30-21/h1-14H,(H,23,25)(H,24,26)
InChIKeyICDNRYDPAYDBKC-UHFFFAOYSA-N
XLogP4.38
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethoxy-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4957664
N-[3-(methanesulfonamido)phenyl]-3-pyridin-2-yloxybenzamide
CID 72719348
1-(4-phenoxyphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea
CID 25046100
4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43908583
N-[4-(2-methoxyphenoxy)phenyl]-3-pyridin-2-yloxybenzamide
CID 90596755
4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2246052
5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43909921
3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 30391286
2-(3-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 2135518
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 3474646
N-(4-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxybenzamide
CID 90596534
4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 4948208

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-pyridin-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (CID 90596616) is 3-pyridin-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-pyridin-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-pyridin-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc(Oc2ccccn2)c1.
What is the InChIKey of 3-pyridin-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is ICDNRYDPAYDBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O4S2/c26-20(15-4-3-5-17(14-15)29-19-6-1-2-11-22-19)24-16-7-9-18(10-8-16)31(27,28)25-21-23-12-13-30-21/h1-14H,(H,23,25)(H,24,26).
What are the key properties of 3-pyridin-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
3-pyridin-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 452.52 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 90596616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).