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

C18H15FN2O3S2 — CID 7578632

IUPAC2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C18H15FN2O3S2/c1-2-26(23,24)16-6-4-3-5-14(16)17(22)21-18-20-15(11-25-18)12-7-9-13(19)10-8-12/h3-11H,2H2,1H3,(H,20,21,22)
InChIKeyCJMKVNIQYLFTPW-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.00
Rot. Bonds5

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

2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 7578632) has the molecular formula C18H15FN2O3S2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID7578632
Molecular FormulaC18H15FN2O3S2
Molecular Weight390.46 g/mol
Exact Mass390.05
IUPAC Name2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C18H15FN2O3S2/c1-2-26(23,24)16-6-4-3-5-14(16)17(22)21-18-20-15(11-25-18)12-7-9-13(19)10-8-12/h3-11H,2H2,1H3,(H,20,21,22)
InChIKeyCJMKVNIQYLFTPW-UHFFFAOYSA-N
XLogP4.00
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 18576995
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 7565481
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 28543180
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylsulfonylbenzamide
CID 41028434
N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 9166885
2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7578610
4-(ethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 78828085
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 26066659
methyl 2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]sulfanylpropanoate
CID 60529725
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-propyl-1-benzothiophene-2-carboxamide
CID 110503305

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide (CID 7578632) is 2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide is CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is CJMKVNIQYLFTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S2/c1-2-26(23,24)16-6-4-3-5-14(16)17(22)21-18-20-15(11-25-18)12-7-9-13(19)10-8-12/h3-11H,2H2,1H3,(H,20,21,22).
What are the key properties of 2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 390.46 g/mol, XLogP of 4.00, 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)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 7578632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).