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

C13H15N3O3S2 — CID 3241749

IUPACN-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1
InChIInChI=1S/C13H15N3O3S2/c1-9(17)15-11-3-5-13(6-4-11)21(18,19)14-7-12-8-20-10(2)16-12/h3-6,8,14H,7H2,1-2H3,(H,15,17)
InChIKeyKWSAZKFKMNIYKX-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.89
Rot. Bonds5

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

N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide (PubChem CID 3241749) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide
PubChem CID3241749
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC NameN-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1
InChIInChI=1S/C13H15N3O3S2/c1-9(17)15-11-3-5-13(6-4-11)21(18,19)14-7-12-8-20-10(2)16-12/h3-6,8,14H,7H2,1-2H3,(H,15,17)
InChIKeyKWSAZKFKMNIYKX-UHFFFAOYSA-N
XLogP1.89
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide (CID 3241749) is N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1.
What is the InChIKey of N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is KWSAZKFKMNIYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-9(17)15-11-3-5-13(6-4-11)21(18,19)14-7-12-8-20-10(2)16-12/h3-6,8,14H,7H2,1-2H3,(H,15,17).
What are the key properties of N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide?
N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 325.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3241749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).