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

C19H19N3O3S2 — CID 10157892

IUPAC2-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-(4-phenylphenyl)propanamide
SMILESCc1nc(C(C)C(=O)Nc2ccc(-c3ccccc3)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C19H19N3O3S2/c1-12(18-21-13(2)19(26-18)27(20,24)25)17(23)22-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,22,23)(H2,20,24,25)
InChIKeyBKNGRHCRIDDABA-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.51
Rot. Bonds5

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

2-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-(4-phenylphenyl)propanamide (PubChem CID 10157892) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-(4-phenylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-(4-phenylphenyl)propanamide
PubChem CID10157892
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name2-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-(4-phenylphenyl)propanamide
SMILESCc1nc(C(C)C(=O)Nc2ccc(-c3ccccc3)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C19H19N3O3S2/c1-12(18-21-13(2)19(26-18)27(20,24)25)17(23)22-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,22,23)(H2,20,24,25)
InChIKeyBKNGRHCRIDDABA-UHFFFAOYSA-N
XLogP3.51
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-(4-phenylphenyl)propanamide?
The IUPAC name of 2-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-(4-phenylphenyl)propanamide (CID 10157892) is 2-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-(4-phenylphenyl)propanamide.
What is the SMILES notation for 2-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-(4-phenylphenyl)propanamide?
The canonical SMILES for 2-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-(4-phenylphenyl)propanamide is Cc1nc(C(C)C(=O)Nc2ccc(-c3ccccc3)cc2)sc1S(N)(=O)=O.
What is the InChIKey of 2-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-(4-phenylphenyl)propanamide?
The InChIKey is BKNGRHCRIDDABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-12(18-21-13(2)19(26-18)27(20,24)25)17(23)22-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,22,23)(H2,20,24,25).
What are the key properties of 2-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-(4-phenylphenyl)propanamide?
2-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-(4-phenylphenyl)propanamide has a molecular weight of 401.51 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-(4-phenylphenyl)propanamide is sourced from PubChem (CID 10157892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).