4-(benzenesulfonamido)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide

C24H21N3O5S2 — CID 16803056

IUPAC4-(benzenesulfonamido)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)n2)cc1OC
InChIInChI=1S/C24H21N3O5S2/c1-31-21-13-10-17(14-22(21)32-2)20-15-33-24(25-20)26-23(28)16-8-11-18(12-9-16)27-34(29,30)19-6-4-3-5-7-19/h3-15,27H,1-2H3,(H,25,26,28)
InChIKeyZFEJQVOCFTUHDE-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.88
Rot. Bonds8

About 4-(benzenesulfonamido)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide

4-(benzenesulfonamido)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 16803056) has the molecular formula C24H21N3O5S2 and a molecular weight of 495.58 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID16803056
Molecular FormulaC24H21N3O5S2
Molecular Weight495.58 g/mol
Exact Mass495.09
IUPAC Name4-(benzenesulfonamido)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)n2)cc1OC
InChIInChI=1S/C24H21N3O5S2/c1-31-21-13-10-17(14-22(21)32-2)20-15-33-24(25-20)26-23(28)16-8-11-18(12-9-16)27-34(29,30)19-6-4-3-5-7-19/h3-15,27H,1-2H3,(H,25,26,28)
InChIKeyZFEJQVOCFTUHDE-UHFFFAOYSA-N
XLogP4.88
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 121044329
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045194
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16802872
4-(benzenesulfonamido)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 121043565
4-acetyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 2321966
4-[(4-fluorophenyl)sulfonylamino]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 121044337
4-(diethylsulfamoyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3385540
methyl 4-[2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1,3-thiazol-4-yl]benzoate
CID 121044368
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 121043668
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3575429
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 4009017

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 16803056) is 4-(benzenesulfonamido)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(-c2csc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)n2)cc1OC.
What is the InChIKey of 4-(benzenesulfonamido)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is ZFEJQVOCFTUHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5S2/c1-31-21-13-10-17(14-22(21)32-2)20-15-33-24(25-20)26-23(28)16-8-11-18(12-9-16)27-34(29,30)19-6-4-3-5-7-19/h3-15,27H,1-2H3,(H,25,26,28).
What are the key properties of 4-(benzenesulfonamido)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide?
4-(benzenesulfonamido)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 495.58 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 16803056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).