4-[methoxy(methyl)sulfamoyl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide

C22H25N3O4S2 — CID 35538236

IUPAC4-[methoxy(methyl)sulfamoyl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCc1ccc(-c2nc(NC(=O)c3ccc(S(=O)(=O)N(C)OC)cc3)sc2C)cc1
InChIInChI=1S/C22H25N3O4S2/c1-5-6-16-7-9-17(10-8-16)20-15(2)30-22(23-20)24-21(26)18-11-13-19(14-12-18)31(27,28)25(3)29-4/h7-14H,5-6H2,1-4H3,(H,23,24,26)
InChIKeySZNBIYKSPXELGS-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.51
Rot. Bonds8

About 4-[methoxy(methyl)sulfamoyl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide

4-[methoxy(methyl)sulfamoyl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 35538236) has the molecular formula C22H25N3O4S2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 4-[methoxy(methyl)sulfamoyl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[methoxy(methyl)sulfamoyl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID35538236
Molecular FormulaC22H25N3O4S2
Molecular Weight459.59 g/mol
Exact Mass459.13
IUPAC Name4-[methoxy(methyl)sulfamoyl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCc1ccc(-c2nc(NC(=O)c3ccc(S(=O)(=O)N(C)OC)cc3)sc2C)cc1
InChIInChI=1S/C22H25N3O4S2/c1-5-6-16-7-9-17(10-8-16)20-15(2)30-22(23-20)24-21(26)18-11-13-19(14-12-18)31(27,28)25(3)29-4/h7-14H,5-6H2,1-4H3,(H,23,24,26)
InChIKeySZNBIYKSPXELGS-UHFFFAOYSA-N
XLogP4.51
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[butyl(methyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 4619100
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993148
4-(dibutylsulfamoyl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 3598751
4-[butyl(ethyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2473350
N-methoxy-N-methyl-4-propylbenzenesulfonamide
CID 60660891
2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119681848
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 16562066
4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 3346909
4-[methoxy(methyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370312
4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide
CID 120586855
4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 1338053
4-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1315978

Frequently Asked Questions

What is the IUPAC name of 4-[methoxy(methyl)sulfamoyl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[methoxy(methyl)sulfamoyl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide (CID 35538236) is 4-[methoxy(methyl)sulfamoyl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[methoxy(methyl)sulfamoyl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[methoxy(methyl)sulfamoyl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide is CCCc1ccc(-c2nc(NC(=O)c3ccc(S(=O)(=O)N(C)OC)cc3)sc2C)cc1.
What is the InChIKey of 4-[methoxy(methyl)sulfamoyl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is SZNBIYKSPXELGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S2/c1-5-6-16-7-9-17(10-8-16)20-15(2)30-22(23-20)24-21(26)18-11-13-19(14-12-18)31(27,28)25(3)29-4/h7-14H,5-6H2,1-4H3,(H,23,24,26).
What are the key properties of 4-[methoxy(methyl)sulfamoyl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide?
4-[methoxy(methyl)sulfamoyl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 459.59 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(methyl)sulfamoyl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 35538236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).