N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide

C25H22N2O3S2 — CID 41028740

IUPACN-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cc4ccccc4)cc3)cs2)c1
InChIInChI=1S/C25H22N2O3S2/c1-2-32(29,30)22-10-6-9-21(16-22)24(28)27-25-26-23(17-31-25)20-13-11-19(12-14-20)15-18-7-4-3-5-8-18/h3-14,16-17H,2,15H2,1H3,(H,26,27,28)
InChIKeyRZLCFKISVHUILH-UHFFFAOYSA-N
MW462.60 g/mol
LogP5.45
Rot. Bonds7

About N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide

N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide (PubChem CID 41028740) has the molecular formula C25H22N2O3S2 and a molecular weight of 462.60 g/mol. Its IUPAC name is N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
PubChem CID41028740
Molecular FormulaC25H22N2O3S2
Molecular Weight462.60 g/mol
Exact Mass462.11
IUPAC NameN-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cc4ccccc4)cc3)cs2)c1
InChIInChI=1S/C25H22N2O3S2/c1-2-32(29,30)22-10-6-9-21(16-22)24(28)27-25-26-23(17-31-25)20-13-11-19(12-14-20)15-18-7-4-3-5-8-18/h3-14,16-17H,2,15H2,1H3,(H,26,27,28)
InChIKeyRZLCFKISVHUILH-UHFFFAOYSA-N
XLogP5.45
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 7295218
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16799686
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 41145879
3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1275885
3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 121041534
3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 27666286
3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667861
3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16799635
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4653870
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide
CID 18587128
3-methylsulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7565619
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide?
The IUPAC name of N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide (CID 41028740) is N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide.
What is the SMILES notation for N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide?
The canonical SMILES for N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide is CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cc4ccccc4)cc3)cs2)c1.
What is the InChIKey of N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide?
The InChIKey is RZLCFKISVHUILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3S2/c1-2-32(29,30)22-10-6-9-21(16-22)24(28)27-25-26-23(17-31-25)20-13-11-19(12-14-20)15-18-7-4-3-5-8-18/h3-14,16-17H,2,15H2,1H3,(H,26,27,28).
What are the key properties of N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide?
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide has a molecular weight of 462.60 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide is sourced from PubChem (CID 41028740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).