2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C12H13N3O4S2 — CID 798094

IUPAC2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C12H13N3O4S2/c1-19-8-11(16)14-9-2-4-10(5-3-9)21(17,18)15-12-13-6-7-20-12/h2-7H,8H2,1H3,(H,13,15)(H,14,16)
InChIKeyOXOLUXYREDJNPH-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.53
Rot. Bonds6

About 2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 798094) has the molecular formula C12H13N3O4S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID798094
Molecular FormulaC12H13N3O4S2
Molecular Weight327.39 g/mol
Exact Mass327.03
IUPAC Name2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C12H13N3O4S2/c1-19-8-11(16)14-9-2-4-10(5-3-9)21(17,18)15-12-13-6-7-20-12/h2-7H,8H2,1H3,(H,13,15)(H,14,16)
InChIKeyOXOLUXYREDJNPH-UHFFFAOYSA-N
XLogP1.53
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Sulfathiazole
CID 5340
Succinylsulfathiazole
CID 5315
Acetylsulfathiazole
CID 67183
2-Chloro-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
CID 721139
2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 1010637
3-[4-(Thiazol-2-ylsulfamoyl)-phenylcarbamoyl]-acrylic acid
CID 5368724
2,2-dimethyl-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}propanamide
CID 503707
2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 3148020
N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}butanamide
CID 903095
Maleylsulfathiazole
CID 5357229
3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 784406
Butyl [4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamate
CID 1562731

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 798094) is 2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is COCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is OXOLUXYREDJNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S2/c1-19-8-11(16)14-9-2-4-10(5-3-9)21(17,18)15-12-13-6-7-20-12/h2-7H,8H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 327.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 798094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).