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

C24H20N2O3S2 — CID 16799686

IUPACN-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cc4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C24H20N2O3S2/c1-31(28,29)21-13-11-20(12-14-21)23(27)26-24-25-22(16-30-24)19-9-7-18(8-10-19)15-17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H,25,26,27)
InChIKeyLKNZCGYBVSXBTE-UHFFFAOYSA-N
MW448.57 g/mol
LogP5.06
Rot. Bonds6

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

N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide (PubChem CID 16799686) has the molecular formula C24H20N2O3S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
PubChem CID16799686
Molecular FormulaC24H20N2O3S2
Molecular Weight448.57 g/mol
Exact Mass448.09
IUPAC NameN-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cc4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C24H20N2O3S2/c1-31(28,29)21-13-11-20(12-14-21)23(27)26-24-25-22(16-30-24)19-9-7-18(8-10-19)15-17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H,25,26,27)
InChIKeyLKNZCGYBVSXBTE-UHFFFAOYSA-N
XLogP5.06
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 41189986
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 41028740
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 41145879
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43947050
2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9246487
N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 43981157
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16802872
4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4646220
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16833562
4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3359761
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 4785270

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide (CID 16799686) is N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cc4ccccc4)cc3)cs2)cc1.
What is the InChIKey of N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide?
The InChIKey is LKNZCGYBVSXBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S2/c1-31(28,29)21-13-11-20(12-14-21)23(27)26-24-25-22(16-30-24)19-9-7-18(8-10-19)15-17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H,25,26,27).
What are the key properties of N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide?
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide has a molecular weight of 448.57 g/mol, XLogP of 5.06, 6 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]-4-methylsulfonylbenzamide is sourced from PubChem (CID 16799686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).