4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide

C24H25N3O4S2 — CID 3568856

IUPAC4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)c(C)c3)cs2)cc1
InChIInChI=1S/C24H25N3O4S2/c1-5-13-27(14-6-2)33(29,30)20-10-7-18(8-11-20)23(28)26-24-25-21(16-32-24)19-9-12-22(31-4)17(3)15-19/h5-12,15-16H,1-2,13-14H2,3-4H3,(H,25,26,28)
InChIKeyBPTLHJYSOXVDET-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.74
Rot. Bonds10

About 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide

4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 3568856) has the molecular formula C24H25N3O4S2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID3568856
Molecular FormulaC24H25N3O4S2
Molecular Weight483.62 g/mol
Exact Mass483.13
IUPAC Name4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)c(C)c3)cs2)cc1
InChIInChI=1S/C24H25N3O4S2/c1-5-13-27(14-6-2)33(29,30)20-10-7-18(8-11-20)23(28)26-24-25-21(16-32-24)19-9-12-22(31-4)17(3)15-19/h5-12,15-16H,1-2,13-14H2,3-4H3,(H,25,26,28)
InChIKeyBPTLHJYSOXVDET-UHFFFAOYSA-N
XLogP4.74
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4181220
4-(diethylsulfamoyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3385540
4-[bis(prop-2-enyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4129034
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3575429
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43947495
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045194
4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 5105347
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16802872
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41038226
4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4192820
2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5136321
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
CID 3267150

Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide (CID 3568856) is 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide is C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)c(C)c3)cs2)cc1.
What is the InChIKey of 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is BPTLHJYSOXVDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S2/c1-5-13-27(14-6-2)33(29,30)20-10-7-18(8-11-20)23(28)26-24-25-21(16-32-24)19-9-12-22(31-4)17(3)15-19/h5-12,15-16H,1-2,13-14H2,3-4H3,(H,25,26,28).
What are the key properties of 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide?
4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 483.62 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 3568856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).