4-[(4-methoxyphenyl)methylsulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C23H19N3O4S2 — CID 160741102

IUPAC4-[(4-methoxyphenyl)methylsulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(CS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)cc1
InChIInChI=1S/C23H19N3O4S2/c1-30-18-9-5-16(6-10-18)15-32(28,29)19-11-7-17(8-12-19)22(27)26-23-25-21(14-31-23)20-4-2-3-13-24-20/h2-14H,15H2,1H3,(H,25,26,27)
InChIKeyRVPBJIWBVIJMEW-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.44
Rot. Bonds7

About 4-[(4-methoxyphenyl)methylsulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

4-[(4-methoxyphenyl)methylsulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 160741102) has the molecular formula C23H19N3O4S2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methylsulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methylsulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID160741102
Molecular FormulaC23H19N3O4S2
Molecular Weight465.56 g/mol
Exact Mass465.08
IUPAC Name4-[(4-methoxyphenyl)methylsulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(CS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)cc1
InChIInChI=1S/C23H19N3O4S2/c1-30-18-9-5-16(6-10-18)15-32(28,29)19-11-7-17(8-12-19)22(27)26-23-25-21(14-31-23)20-4-2-3-13-24-20/h2-14H,15H2,1H3,(H,25,26,27)
InChIKeyRVPBJIWBVIJMEW-UHFFFAOYSA-N
XLogP4.44
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 46912779
4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4646220
1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 176859767
4-[benzyl(ethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4155724
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 4785270
4-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 46912778
4-methoxy-3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 8924132
1-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 16831864
2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46978469
4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 52900445
(Z)-3-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 87722246
4-(benzenesulfonylmethyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 55759385

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methylsulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(4-methoxyphenyl)methylsulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 160741102) is 4-[(4-methoxyphenyl)methylsulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)methylsulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(4-methoxyphenyl)methylsulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is COc1ccc(CS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methylsulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is RVPBJIWBVIJMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S2/c1-30-18-9-5-16(6-10-18)15-32(28,29)19-11-7-17(8-12-19)22(27)26-23-25-21(14-31-23)20-4-2-3-13-24-20/h2-14H,15H2,1H3,(H,25,26,27).
What are the key properties of 4-[(4-methoxyphenyl)methylsulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
4-[(4-methoxyphenyl)methylsulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 465.56 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methylsulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 160741102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).