N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide

C27H27N3O3S2 — CID 2374824

IUPACN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1
InChIInChI=1S/C27H27N3O3S2/c1-27(2,3)21-14-10-19(11-15-21)24-18-34-26(28-24)29-25(31)20-12-16-23(17-13-20)35(32,33)30(4)22-8-6-5-7-9-22/h5-18H,1-4H3,(H,28,29,31)
InChIKeyDYMUMPQWSAUEMC-UHFFFAOYSA-N
MW505.67 g/mol
LogP6.18
Rot. Bonds6

About N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide

N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 2374824) has the molecular formula C27H27N3O3S2 and a molecular weight of 505.67 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID2374824
Molecular FormulaC27H27N3O3S2
Molecular Weight505.67 g/mol
Exact Mass505.15
IUPAC NameN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1
InChIInChI=1S/C27H27N3O3S2/c1-27(2,3)21-14-10-19(11-15-21)24-18-34-26(28-24)29-25(31)20-12-16-23(17-13-20)35(32,33)30(4)22-8-6-5-7-9-22/h5-18H,1-4H3,(H,28,29,31)
InChIKeyDYMUMPQWSAUEMC-UHFFFAOYSA-N
XLogP6.18
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.67
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4177546
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4653870
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 25319225
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
4-[ethyl(phenyl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3623280
4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3359761
4-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 46912778
4-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 46912779
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43947050
N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 7920184
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 4120073
4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4644127

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide (CID 2374824) is N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is DYMUMPQWSAUEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3S2/c1-27(2,3)21-14-10-19(11-15-21)24-18-34-26(28-24)29-25(31)20-12-16-23(17-13-20)35(32,33)30(4)22-8-6-5-7-9-22/h5-18H,1-4H3,(H,28,29,31).
What are the key properties of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 505.67 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2374824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).