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

C19H19N3O4S2 — CID 8534346

IUPAC3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)c1
InChIInChI=1S/C19H19N3O4S2/c1-13-20-18(12-27-13)14-7-9-16(10-8-14)21-19(23)15-5-4-6-17(11-15)28(24,25)22(2)26-3/h4-12H,1-3H3,(H,21,23)
InChIKeyFSECQRLPHOQPMV-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.55
Rot. Bonds6

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

3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 8534346) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID8534346
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)c1
InChIInChI=1S/C19H19N3O4S2/c1-13-20-18(12-27-13)14-7-9-16(10-8-14)21-19(23)15-5-4-6-17(11-15)28(24,25)22(2)26-3/h4-12H,1-3H3,(H,21,23)
InChIKeyFSECQRLPHOQPMV-UHFFFAOYSA-N
XLogP3.55
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.55
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

3-(ethylsulfamoyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167522
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892
3-(dimethylsulfamoyl)-4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 55414711
3-[methoxy(methyl)sulfamoyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 56585528
N-(4-acetyl-1,3-thiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55435386
3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 9207030
3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327241
3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 24648924
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3,5-dinitrobenzamide
CID 23764172
3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727275
4-(dimethylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727305
3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
CID 8841398

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 8534346) is 3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)c1.
What is the InChIKey of 3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is FSECQRLPHOQPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-13-20-18(12-27-13)14-7-9-16(10-8-14)21-19(23)15-5-4-6-17(11-15)28(24,25)22(2)26-3/h4-12H,1-3H3,(H,21,23).
What are the key properties of 3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 8534346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).