2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

C19H19N3O3S2 — CID 30768739

IUPAC2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)/N=c3\sccn3C)c2)c1
InChIInChI=1S/C19H19N3O3S2/c1-13-5-4-6-15(11-13)21-27(24,25)16-8-7-14(2)17(12-16)18(23)20-19-22(3)9-10-26-19/h4-12,21H,1-3H3/b20-19-
InChIKeyZVJCJBFEFZQKSU-VXPUYCOJSA-N
MW401.51 g/mol
LogP3.25
Rot. Bonds4

About 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 30768739) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID30768739
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)/N=c3\sccn3C)c2)c1
InChIInChI=1S/C19H19N3O3S2/c1-13-5-4-6-15(11-13)21-27(24,25)16-8-7-14(2)17(12-16)18(23)20-19-22(3)9-10-26-19/h4-12,21H,1-3H3/b20-19-
InChIKeyZVJCJBFEFZQKSU-VXPUYCOJSA-N
XLogP3.25
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30796988
2-methyl-N-[2-(methylamino)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119500518
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide
CID 30601752
2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 6921137
N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 119405384
N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 78856387
3-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 55583889
4-methyl-N-(3-methylphenyl)-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 30797973
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26714040
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733
5-[(3-carboxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 45407611

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (CID 30768739) is 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)/N=c3\sccn3C)c2)c1.
What is the InChIKey of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is ZVJCJBFEFZQKSU-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-13-5-4-6-15(11-13)21-27(24,25)16-8-7-14(2)17(12-16)18(23)20-19-22(3)9-10-26-19/h4-12,21H,1-3H3/b20-19-.
What are the key properties of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 401.51 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 30768739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).