N-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide

C19H20N4O3S2 — CID 123372490

IUPACN-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide
SMILESCCc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C19H20N4O3S2/c1-3-15-18(28(20,25)26)27-19(22-15)23(2)17(24)12-13-7-9-14(10-8-13)16-6-4-5-11-21-16/h4-11H,3,12H2,1-2H3,(H2,20,25,26)
InChIKeySEXPETNWHMVOEF-UHFFFAOYSA-N
MW416.53 g/mol
LogP2.62
Rot. Bonds6

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

N-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide (PubChem CID 123372490) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide
PubChem CID123372490
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC NameN-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide
SMILESCCc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C19H20N4O3S2/c1-3-15-18(28(20,25)26)27-19(22-15)23(2)17(24)12-13-7-9-14(10-8-13)16-6-4-5-11-21-16/h4-11H,3,12H2,1-2H3,(H2,20,25,26)
InChIKeySEXPETNWHMVOEF-UHFFFAOYSA-N
XLogP2.62
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide?
The IUPAC name of N-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide (CID 123372490) is N-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide.
What is the SMILES notation for N-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide?
The canonical SMILES for N-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide is CCc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=O.
What is the InChIKey of N-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide?
The InChIKey is SEXPETNWHMVOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-3-15-18(28(20,25)26)27-19(22-15)23(2)17(24)12-13-7-9-14(10-8-13)16-6-4-5-11-21-16/h4-11H,3,12H2,1-2H3,(H2,20,25,26).
What are the key properties of N-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide?
N-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide has a molecular weight of 416.53 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide is sourced from PubChem (CID 123372490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).