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

C23H25N3O4S2 — CID 18560849

IUPAC4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)CC4CCCO4)cc3)n2)cc1
InChIInChI=1S/C23H25N3O4S2/c1-16-5-7-17(8-6-16)21-15-31-23(24-21)25-22(27)18-9-11-20(12-10-18)32(28,29)26(2)14-19-4-3-13-30-19/h5-12,15,19H,3-4,13-14H2,1-2H3,(H,24,25,27)
InChIKeyODFUYIYKKAMBAY-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.17
Rot. Bonds7

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

4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 18560849) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID18560849
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC Name4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)CC4CCCO4)cc3)n2)cc1
InChIInChI=1S/C23H25N3O4S2/c1-16-5-7-17(8-6-16)21-15-31-23(24-21)25-22(27)18-9-11-20(12-10-18)32(28,29)26(2)14-19-4-3-13-30-19/h5-12,15,19H,3-4,13-14H2,1-2H3,(H,24,25,27)
InChIKeyODFUYIYKKAMBAY-UHFFFAOYSA-N
XLogP4.17
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 41139913
4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18560848
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 16833591
4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 16833573
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
N-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide
CID 7202655
N-(6-chloro-1,3-benzothiazol-2-yl)-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 43937109
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 18560940
N-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 43947187
4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 43937113
4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 18560843
4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4177546

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide (CID 18560849) is 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide is Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)CC4CCCO4)cc3)n2)cc1.
What is the InChIKey of 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is ODFUYIYKKAMBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-16-5-7-17(8-6-16)21-15-31-23(24-21)25-22(27)18-9-11-20(12-10-18)32(28,29)26(2)14-19-4-3-13-30-19/h5-12,15,19H,3-4,13-14H2,1-2H3,(H,24,25,27).
What are the key properties of 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 471.60 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 18560849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).