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

C14H15N3O5S2 — CID 55435386

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(C(C)=O)cs2)c1
InChIInChI=1S/C14H15N3O5S2/c1-9(18)12-8-23-14(15-12)16-13(19)10-5-4-6-11(7-10)24(20,21)17(2)22-3/h4-8H,1-3H3,(H,15,16,19)
InChIKeyNNTXBFWQEMVSDY-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.78
Rot. Bonds6

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

N-(4-acetyl-1,3-thiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 55435386) has the molecular formula C14H15N3O5S2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID55435386
Molecular FormulaC14H15N3O5S2
Molecular Weight369.42 g/mol
Exact Mass369.05
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(C(C)=O)cs2)c1
InChIInChI=1S/C14H15N3O5S2/c1-9(18)12-8-23-14(15-12)16-13(19)10-5-4-6-11(7-10)24(20,21)17(2)22-3/h4-8H,1-3H3,(H,15,16,19)
InChIKeyNNTXBFWQEMVSDY-UHFFFAOYSA-N
XLogP1.78
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 8534346
N-(2,6-diethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18197987
3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 51250979
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 32864912
3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 9207030
N-(4-acetyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 55435187
3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 18197948
N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18198075
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 60700131
N-(4-acetyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 60716919
N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9208555
3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1275885

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide (CID 55435386) is N-(4-acetyl-1,3-thiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(C(C)=O)cs2)c1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is NNTXBFWQEMVSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S2/c1-9(18)12-8-23-14(15-12)16-13(19)10-5-4-6-11(7-10)24(20,21)17(2)22-3/h4-8H,1-3H3,(H,15,16,19).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide?
N-(4-acetyl-1,3-thiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 369.42 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 55435386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).