3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C18H16N2O3S2 — CID 27666286

IUPAC3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCS(=O)(=O)Cc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C18H16N2O3S2/c1-25(22,23)12-13-6-5-9-15(10-13)17(21)20-18-19-16(11-24-18)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,20,21)
InChIKeyNZBDVSCBWVJBDH-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.61
Rot. Bonds5

About 3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 27666286) has the molecular formula C18H16N2O3S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID27666286
Molecular FormulaC18H16N2O3S2
Molecular Weight372.47 g/mol
Exact Mass372.06
IUPAC Name3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCS(=O)(=O)Cc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C18H16N2O3S2/c1-25(22,23)12-13-6-5-9-15(10-13)17(21)20-18-19-16(11-24-18)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,20,21)
InChIKeyNZBDVSCBWVJBDH-UHFFFAOYSA-N
XLogP3.61
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9192718
3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18127523
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-3-(methylsulfonylmethyl)benzamide
CID 26723789
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 36539422
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-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 4785270
3-(methylsulfonylmethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30183831
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16799686
3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16799635
3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 119044872
3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 121041534

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 27666286) is 3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is CS(=O)(=O)Cc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is NZBDVSCBWVJBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S2/c1-25(22,23)12-13-6-5-9-15(10-13)17(21)20-18-19-16(11-24-18)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,20,21).
What are the key properties of 3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 372.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 27666286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).