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

C32H29N3O3S2 — CID 43947050

IUPAC4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C32H29N3O3S2/c1-23(2)35(21-24-9-5-3-6-10-24)40(37,38)29-19-17-28(18-20-29)31(36)34-32-33-30(22-39-32)27-15-13-26(14-16-27)25-11-7-4-8-12-25/h3-20,22-23H,21H2,1-2H3,(H,33,34,36)
InChIKeyMJYLHHUZUDSHNF-UHFFFAOYSA-N
MW567.74 g/mol
LogP7.33
Rot. Bonds9

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

4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 43947050) has the molecular formula C32H29N3O3S2 and a molecular weight of 567.74 g/mol. Its IUPAC name is 4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID43947050
Molecular FormulaC32H29N3O3S2
Molecular Weight567.74 g/mol
Exact Mass567.17
IUPAC Name4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C32H29N3O3S2/c1-23(2)35(21-24-9-5-3-6-10-24)40(37,38)29-19-17-28(18-20-29)31(36)34-32-33-30(22-39-32)27-15-13-26(14-16-27)25-11-7-4-8-12-25/h3-20,22-23H,21H2,1-2H3,(H,33,34,36)
InChIKeyMJYLHHUZUDSHNF-UHFFFAOYSA-N
XLogP7.33
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.74
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16833562
4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 43947043
N-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]-4-[benzyl(propan-2-yl)sulfamoyl]benzamide
CID 16833742
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
4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3359761
4-[ethyl(phenyl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3623280
4-[bis(prop-2-enyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4129034
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16799686
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4177546
4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4181220
4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide
CID 16833704

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide (CID 43947050) is 4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide is CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1.
What is the InChIKey of 4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is MJYLHHUZUDSHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O3S2/c1-23(2)35(21-24-9-5-3-6-10-24)40(37,38)29-19-17-28(18-20-29)31(36)34-32-33-30(22-39-32)27-15-13-26(14-16-27)25-11-7-4-8-12-25/h3-20,22-23H,21H2,1-2H3,(H,33,34,36).
What are the key properties of 4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide?
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 567.74 g/mol, XLogP of 7.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 43947050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).