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

C18H18N4O4S2 — CID 56585528

IUPAC3-[methoxy(methyl)sulfamoyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)NCc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C18H18N4O4S2/c1-22(26-2)28(24,25)15-5-3-4-14(10-15)18(23)20-11-17-21-16(12-27-17)13-6-8-19-9-7-13/h3-10,12H,11H2,1-2H3,(H,20,23)
InChIKeyOJAWTOXRGGQZMI-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.32
Rot. Bonds7

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

3-[methoxy(methyl)sulfamoyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 56585528) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-[methoxy(methyl)sulfamoyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[methoxy(methyl)sulfamoyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID56585528
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC Name3-[methoxy(methyl)sulfamoyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)NCc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C18H18N4O4S2/c1-22(26-2)28(24,25)15-5-3-4-14(10-15)18(23)20-11-17-21-16(12-27-17)13-6-8-19-9-7-13/h3-10,12H,11H2,1-2H3,(H,20,23)
InChIKeyOJAWTOXRGGQZMI-UHFFFAOYSA-N
XLogP2.32
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.32
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
3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110318175
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110393653
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 56585871
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide
CID 110393681
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110351799
4-(dimethylamino)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 86804654
N-(4-acetyl-1,3-thiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55435386
3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327241
N-[(2S)-1-amino-3-oxo-4-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]-3-(dimethylsulfamoyl)benzamide;sulfane
CID 161463731
3-[methoxy(methyl)sulfamoyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 9143604
3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 71691502

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide (CID 56585528) is 3-[methoxy(methyl)sulfamoyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-[methoxy(methyl)sulfamoyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-[methoxy(methyl)sulfamoyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)NCc2nc(-c3ccncc3)cs2)c1.
What is the InChIKey of 3-[methoxy(methyl)sulfamoyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is OJAWTOXRGGQZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c1-22(26-2)28(24,25)15-5-3-4-14(10-15)18(23)20-11-17-21-16(12-27-17)13-6-8-19-9-7-13/h3-10,12H,11H2,1-2H3,(H,20,23).
What are the key properties of 3-[methoxy(methyl)sulfamoyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide?
3-[methoxy(methyl)sulfamoyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 418.50 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)sulfamoyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 56585528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).