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

C22H21N3O3S2 — CID 4129034

IUPAC4-[bis(prop-2-enyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C22H21N3O3S2/c1-3-14-25(15-4-2)30(27,28)19-12-10-18(11-13-19)21(26)24-22-23-20(16-29-22)17-8-6-5-7-9-17/h3-13,16H,1-2,14-15H2,(H,23,24,26)
InChIKeyJFDOJBDAQHWTMK-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.43
Rot. Bonds9

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

4-[bis(prop-2-enyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 4129034) has the molecular formula C22H21N3O3S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID4129034
Molecular FormulaC22H21N3O3S2
Molecular Weight439.56 g/mol
Exact Mass439.10
IUPAC Name4-[bis(prop-2-enyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C22H21N3O3S2/c1-3-14-25(15-4-2)30(27,28)19-12-10-18(11-13-19)21(26)24-22-23-20(16-29-22)17-8-6-5-7-9-17/h3-13,16H,1-2,14-15H2,(H,23,24,26)
InChIKeyJFDOJBDAQHWTMK-UHFFFAOYSA-N
XLogP4.43
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3359761
4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3568856
4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 5105347
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-[bis(prop-2-enyl)sulfamoyl]benzamide
CID 4118461
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43947050
3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1275885
4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4177546
4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 4100899
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 3271208
4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 998509
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459

Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[bis(prop-2-enyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 4129034) is 4-[bis(prop-2-enyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[bis(prop-2-enyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[bis(prop-2-enyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 4-[bis(prop-2-enyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is JFDOJBDAQHWTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S2/c1-3-14-25(15-4-2)30(27,28)19-12-10-18(11-13-19)21(26)24-22-23-20(16-29-22)17-8-6-5-7-9-17/h3-13,16H,1-2,14-15H2,(H,23,24,26).
What are the key properties of 4-[bis(prop-2-enyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
4-[bis(prop-2-enyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 439.56 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(prop-2-enyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4129034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).