3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide

C24H21N3O4S2 — CID 2079702

IUPAC3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C24H21N3O4S2/c1-31-22-13-6-5-12-21(22)27(17-18-8-3-2-4-9-18)33(29,30)20-11-7-10-19(16-20)23(28)26-24-25-14-15-32-24/h2-16H,17H2,1H3,(H,25,26,28)
InChIKeyNMBQTVAPXUCXRN-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.80
Rot. Bonds8

About 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide

3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 2079702) has the molecular formula C24H21N3O4S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID2079702
Molecular FormulaC24H21N3O4S2
Molecular Weight479.58 g/mol
Exact Mass479.10
IUPAC Name3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C24H21N3O4S2/c1-31-22-13-6-5-12-21(22)27(17-18-8-3-2-4-9-18)33(29,30)20-11-7-10-19(16-20)23(28)26-24-25-14-15-32-24/h2-16H,17H2,1H3,(H,25,26,28)
InChIKeyNMBQTVAPXUCXRN-UHFFFAOYSA-N
XLogP4.80
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30160867
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 24982454
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide
CID 2469146
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-[4-(diethylamino)phenyl]benzamide
CID 2433943
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 4832234
3-(dimethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 4030304
phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate
CID 2668410
3-[[3-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide;3-[benzenesulfonyl(benzyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 160742050
3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide
CID 33098006
3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 4850525
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 26914975
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 2538961

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide (CID 2079702) is 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide is COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nccs2)c1.
What is the InChIKey of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is NMBQTVAPXUCXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S2/c1-31-22-13-6-5-12-21(22)27(17-18-8-3-2-4-9-18)33(29,30)20-11-7-10-19(16-20)23(28)26-24-25-14-15-32-24/h2-16H,17H2,1H3,(H,25,26,28).
What are the key properties of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 479.58 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2079702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).