N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide

C19H19N3O3S2 — CID 5278580

IUPACN-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide
SMILESCc1nc(N(C)C(=O)Cc2ccc(-c3ccccc3)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C19H19N3O3S2/c1-13-18(27(20,24)25)26-19(21-13)22(2)17(23)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,20,24,25)
InChIKeyWPXGIUPWYVACRH-UHFFFAOYSA-N
MW401.51 g/mol
LogP2.97
Rot. Bonds5

About N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide

N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide (PubChem CID 5278580) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide
PubChem CID5278580
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC NameN-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide
SMILESCc1nc(N(C)C(=O)Cc2ccc(-c3ccccc3)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C19H19N3O3S2/c1-13-18(27(20,24)25)26-19(21-13)22(2)17(23)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,20,24,25)
InChIKeyWPXGIUPWYVACRH-UHFFFAOYSA-N
XLogP2.97
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide (CID 5278580) is N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide is Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccc3)cc2)sc1S(N)(=O)=O.
What is the InChIKey of N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide?
The InChIKey is WPXGIUPWYVACRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-13-18(27(20,24)25)26-19(21-13)22(2)17(23)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,20,24,25).
What are the key properties of N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide?
N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide has a molecular weight of 401.51 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 5278580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).