3-(dimethylsulfamoyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide

C19H19N3O3S2 — CID 2671884

IUPAC3-(dimethylsulfamoyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide
SMILESCc1csc(N(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2)n1
InChIInChI=1S/C19H19N3O3S2/c1-14-13-26-19(20-14)22(16-9-5-4-6-10-16)18(23)15-8-7-11-17(12-15)27(24,25)21(2)3/h4-13H,1-3H3
InChIKeyTZVREMFEEQYKGV-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.68
Rot. Bonds5

About 3-(dimethylsulfamoyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide

3-(dimethylsulfamoyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide (PubChem CID 2671884) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide
PubChem CID2671884
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name3-(dimethylsulfamoyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide
SMILESCc1csc(N(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2)n1
InChIInChI=1S/C19H19N3O3S2/c1-14-13-26-19(20-14)22(16-9-5-4-6-10-16)18(23)15-8-7-11-17(12-15)27(24,25)21(2)3/h4-13H,1-3H3
InChIKeyTZVREMFEEQYKGV-UHFFFAOYSA-N
XLogP3.68
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide (CID 2671884) is 3-(dimethylsulfamoyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide is Cc1csc(N(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2)n1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide?
The InChIKey is TZVREMFEEQYKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-14-13-26-19(20-14)22(16-9-5-4-6-10-16)18(23)15-8-7-11-17(12-15)27(24,25)21(2)3/h4-13H,1-3H3.
What are the key properties of 3-(dimethylsulfamoyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide?
3-(dimethylsulfamoyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide has a molecular weight of 401.51 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide is sourced from PubChem (CID 2671884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).