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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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide
CID 2532933
N-[4-[4-(2-methyl-thiazol-4-ylmethyl)-piperazine-1-sulfonyl]-phenyl]-acetamide
CID 574577
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2998400
N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide
CID 4795879
N-[4-({[5-(2-methyl-1,3-thiazol-4-yl)-2-thienyl]sulfonyl}amino)phenyl]acetamide
CID 2814520
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2532925
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4781030
3-fluoro-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 71857317
(E)-N-(2-aminophenyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 60198343
N-(4-(N-(2-(2-methylthiazol-4-yl)ethyl)sulfamoyl)phenyl)acetamide
CID 3243012
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 16196298
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29455564

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).