3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide

C23H18N2O4S2 — CID 16799635

IUPAC3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1
InChIInChI=1S/C23H18N2O4S2/c1-31(27,28)20-9-5-6-17(14-20)22(26)25-23-24-21(15-30-23)16-10-12-19(13-11-16)29-18-7-3-2-4-8-18/h2-15H,1H3,(H,24,25,26)
InChIKeyOERARPZBYMFOGG-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.26
Rot. Bonds6

About 3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide

3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 16799635) has the molecular formula C23H18N2O4S2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID16799635
Molecular FormulaC23H18N2O4S2
Molecular Weight450.54 g/mol
Exact Mass450.07
IUPAC Name3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1
InChIInChI=1S/C23H18N2O4S2/c1-31(27,28)20-9-5-6-17(14-20)22(26)25-23-24-21(15-30-23)16-10-12-19(13-11-16)29-18-7-3-2-4-8-18/h2-15H,1H3,(H,24,25,26)
InChIKeyOERARPZBYMFOGG-UHFFFAOYSA-N
XLogP5.26
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methylsulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7565619
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 7565614
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4111369
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 32623148
3-nitro-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4133281
3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1275885
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 41028740
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide
CID 18587128
3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18127523
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 7295218
3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 27666286
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4653870

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 16799635) is 3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide is CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1.
What is the InChIKey of 3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is OERARPZBYMFOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4S2/c1-31(27,28)20-9-5-6-17(14-20)22(26)25-23-24-21(15-30-23)16-10-12-19(13-11-16)29-18-7-3-2-4-8-18/h2-15H,1H3,(H,24,25,26).
What are the key properties of 3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide?
3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 450.54 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 16799635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).