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

C19H19N3O3S3 — CID 47093105

IUPACN-methyl-4-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]sulfamoyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Sc3nc(C)cs3)cc2C)cc1
InChIInChI=1S/C19H19N3O3S3/c1-12-10-15(27-19-21-13(2)11-26-19)6-9-17(12)22-28(24,25)16-7-4-14(5-8-16)18(23)20-3/h4-11,22H,1-3H3,(H,20,23)
InChIKeyNQVPYXWHNUWHOC-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.07
Rot. Bonds6

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

N-methyl-4-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]sulfamoyl]benzamide (PubChem CID 47093105) has the molecular formula C19H19N3O3S3 and a molecular weight of 433.58 g/mol. Its IUPAC name is N-methyl-4-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]sulfamoyl]benzamide
PubChem CID47093105
Molecular FormulaC19H19N3O3S3
Molecular Weight433.58 g/mol
Exact Mass433.06
IUPAC NameN-methyl-4-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]sulfamoyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Sc3nc(C)cs3)cc2C)cc1
InChIInChI=1S/C19H19N3O3S3/c1-12-10-15(27-19-21-13(2)11-26-19)6-9-17(12)22-28(24,25)16-7-4-14(5-8-16)18(23)20-3/h4-11,22H,1-3H3,(H,20,23)
InChIKeyNQVPYXWHNUWHOC-UHFFFAOYSA-N
XLogP4.07
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-4-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]sulfamoyl]benzamide with MolForge

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Related Compounds

N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 41465640
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylsulfanylpropanamide
CID 47093016
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-methylsulfonylfuran-2-carboxamide
CID 86944554
N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062594
1-[(2R)-2-cyanopropyl]-3-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]urea
CID 97068214
4-amino-N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pentanamide;hydrochloride
CID 120561971
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119313836
N,4-dimethyl-3-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]amino]benzamide
CID 46439270
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119766849
N-methyl-4-[(2-thiophen-2-ylphenyl)sulfamoyl]benzamide
CID 17467119
4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 169371323
N,3-dimethyl-4-(sulfamoylamino)benzamide
CID 112573608

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]sulfamoyl]benzamide?
The IUPAC name of N-methyl-4-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]sulfamoyl]benzamide (CID 47093105) is N-methyl-4-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-methyl-4-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-methyl-4-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]sulfamoyl]benzamide is CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Sc3nc(C)cs3)cc2C)cc1.
What is the InChIKey of N-methyl-4-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]sulfamoyl]benzamide?
The InChIKey is NQVPYXWHNUWHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S3/c1-12-10-15(27-19-21-13(2)11-26-19)6-9-17(12)22-28(24,25)16-7-4-14(5-8-16)18(23)20-3/h4-11,22H,1-3H3,(H,20,23).
What are the key properties of N-methyl-4-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]sulfamoyl]benzamide?
N-methyl-4-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]sulfamoyl]benzamide has a molecular weight of 433.58 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 47093105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).