N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C19H19N3O3S2 — CID 29455564

IUPACN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cs1
InChIInChI=1S/C19H19N3O3S2/c1-14-20-16(13-26-14)12-19(23)21-15-7-6-10-18(11-15)27(24,25)22(2)17-8-4-3-5-9-17/h3-11,13H,12H2,1-2H3,(H,21,23)
InChIKeyPFCOAEKQVJKOFX-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.46
Rot. Bonds6

About N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 29455564) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID29455564
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cs1
InChIInChI=1S/C19H19N3O3S2/c1-14-20-16(13-26-14)12-19(23)21-15-7-6-10-18(11-15)27(24,25)22(2)17-8-4-3-5-9-17/h3-11,13H,12H2,1-2H3,(H,21,23)
InChIKeyPFCOAEKQVJKOFX-UHFFFAOYSA-N
XLogP3.46
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 29455564) is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cs1.
What is the InChIKey of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is PFCOAEKQVJKOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-14-20-16(13-26-14)12-19(23)21-15-7-6-10-18(11-15)27(24,25)22(2)17-8-4-3-5-9-17/h3-11,13H,12H2,1-2H3,(H,21,23).
What are the key properties of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 401.51 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 29455564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).