4-[(4-methylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide

C21H23N3O3S2 — CID 56558023

IUPAC4-[(4-methylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3csc(C(C)C)n3)cc2)cc1
InChIInChI=1S/C21H23N3O3S2/c1-14(2)21-23-18(13-28-21)12-22-20(25)16-6-10-19(11-7-16)29(26,27)24-17-8-4-15(3)5-9-17/h4-11,13-14,24H,12H2,1-3H3,(H,22,25)
InChIKeyVTAHPXXMWDWUJA-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.31
Rot. Bonds7

About 4-[(4-methylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide

4-[(4-methylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 56558023) has the molecular formula C21H23N3O3S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID56558023
Molecular FormulaC21H23N3O3S2
Molecular Weight429.57 g/mol
Exact Mass429.12
IUPAC Name4-[(4-methylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3csc(C(C)C)n3)cc2)cc1
InChIInChI=1S/C21H23N3O3S2/c1-14(2)21-23-18(13-28-21)12-22-20(25)16-6-10-19(11-7-16)29(26,27)24-17-8-4-15(3)5-9-17/h4-11,13-14,24H,12H2,1-3H3,(H,22,25)
InChIKeyVTAHPXXMWDWUJA-UHFFFAOYSA-N
XLogP4.31
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728056
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558119
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 110728120
4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558217
N-(2-hydroxypropyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 78800316
4-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861046
4-propan-2-ylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557906
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353
4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557994
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide
CID 3628664

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 4-[(4-methylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide (CID 56558023) is 4-[(4-methylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-[(4-methylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-[(4-methylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3csc(C(C)C)n3)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is VTAHPXXMWDWUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S2/c1-14(2)21-23-18(13-28-21)12-22-20(25)16-6-10-19(11-7-16)29(26,27)24-17-8-4-15(3)5-9-17/h4-11,13-14,24H,12H2,1-3H3,(H,22,25).
What are the key properties of 4-[(4-methylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
4-[(4-methylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 429.57 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 56558023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).