4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide

C14H17N3O3S2 — CID 51315975

IUPAC4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1
InChIInChI=1S/C14H17N3O3S2/c1-10-9-21-13(16-10)8-15-14(18)11-4-6-12(7-5-11)22(19,20)17(2)3/h4-7,9H,8H2,1-3H3,(H,15,18)
InChIKeyZNMRAHNBCYKVHD-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.63
Rot. Bonds5

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

4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 51315975) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID51315975
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1
InChIInChI=1S/C14H17N3O3S2/c1-10-9-21-13(16-10)8-15-14(18)11-4-6-12(7-5-11)22(19,20)17(2)3/h4-7,9H,8H2,1-3H3,(H,15,18)
InChIKeyZNMRAHNBCYKVHD-UHFFFAOYSA-N
XLogP1.63
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylsulfonylbenzamide
CID 47048130
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 55534295
3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709417
5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60725191
2-[[(4-propan-2-ylsulfonylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244921
4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51291464
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565
N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115687991
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 81448940
N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 8006630

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (CID 51315975) is 4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is Cc1csc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is ZNMRAHNBCYKVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-10-9-21-13(16-10)8-15-14(18)11-4-6-12(7-5-11)22(19,20)17(2)3/h4-7,9H,8H2,1-3H3,(H,15,18).
What are the key properties of 4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 51315975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).