N-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide

C13H15N3O5S2 — CID 39861071

IUPACN-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2cnc(NC(C)=O)s2)c(OC)c1
InChIInChI=1S/C13H15N3O5S2/c1-8(17)15-13-14-7-12(22-13)23(18,19)16-10-5-4-9(20-2)6-11(10)21-3/h4-7,16H,1-3H3,(H,14,15,17)
InChIKeyOBETXSPEMMCQRF-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.92
Rot. Bonds6

About N-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide

N-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 39861071) has the molecular formula C13H15N3O5S2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
PubChem CID39861071
Molecular FormulaC13H15N3O5S2
Molecular Weight357.41 g/mol
Exact Mass357.05
IUPAC NameN-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2cnc(NC(C)=O)s2)c(OC)c1
InChIInChI=1S/C13H15N3O5S2/c1-8(17)15-13-14-7-12(22-13)23(18,19)16-10-5-4-9(20-2)6-11(10)21-3/h4-7,16H,1-3H3,(H,14,15,17)
InChIKeyOBETXSPEMMCQRF-UHFFFAOYSA-N
XLogP1.92
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104589390
N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413734
5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide
CID 106266909
2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride
CID 174821930
N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 42560681
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113020010
4-[(2,4-dimethoxyphenyl)sulfamoyl]-N-methylthiophene-2-carboxamide
CID 6503913
5-chloro-N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide
CID 43415198
N-[5-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 46969512
2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid
CID 28774020
(4-acetamido-3-methoxyphenyl) sulfate
CID 122164830
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide (CID 39861071) is N-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide is COc1ccc(NS(=O)(=O)c2cnc(NC(C)=O)s2)c(OC)c1.
What is the InChIKey of N-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is OBETXSPEMMCQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5S2/c1-8(17)15-13-14-7-12(22-13)23(18,19)16-10-5-4-9(20-2)6-11(10)21-3/h4-7,16H,1-3H3,(H,14,15,17).
What are the key properties of N-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 39861071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).