2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide

C19H17FN2O3S2 — CID 28543180

IUPAC2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1
InChIInChI=1S/C19H17FN2O3S2/c1-3-27(24,25)16-7-5-4-6-15(16)18(23)22-19-21-17(12(2)26-19)13-8-10-14(20)11-9-13/h4-11H,3H2,1-2H3,(H,21,22,23)
InChIKeyDUEVTJXHAFBYEB-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.30
Rot. Bonds5

About 2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide

2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 28543180) has the molecular formula C19H17FN2O3S2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID28543180
Molecular FormulaC19H17FN2O3S2
Molecular Weight404.49 g/mol
Exact Mass404.07
IUPAC Name2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1
InChIInChI=1S/C19H17FN2O3S2/c1-3-27(24,25)16-7-5-4-6-15(16)18(23)22-19-21-17(12(2)26-19)13-8-10-14(20)11-9-13/h4-11H,3H2,1-2H3,(H,21,22,23)
InChIKeyDUEVTJXHAFBYEB-UHFFFAOYSA-N
XLogP4.30
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7769422
2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7578632
2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7578610
ethyl 2-[(2-ethylsulfonylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 41028409
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 1347127
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
4-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-iodobenzamide
CID 38915062
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 19210425
2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2671533
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119266982
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3151931

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (CID 28543180) is 2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1.
What is the InChIKey of 2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is DUEVTJXHAFBYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S2/c1-3-27(24,25)16-7-5-4-6-15(16)18(23)22-19-21-17(12(2)26-19)13-8-10-14(20)11-9-13/h4-11H,3H2,1-2H3,(H,21,22,23).
What are the key properties of 2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 404.49 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 28543180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).