2-methoxy-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide

C12H11N3O6S2 — CID 2289451

IUPAC2-methoxy-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCOCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C12H11N3O6S2/c1-21-7-10(16)14-12-13-6-11(22-12)23(19,20)9-4-2-8(3-5-9)15(17)18/h2-6H,7H2,1H3,(H,13,14,16)
InChIKeyBSPFUVLICWUWDA-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.47
Rot. Bonds6

About 2-methoxy-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide

2-methoxy-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide (PubChem CID 2289451) has the molecular formula C12H11N3O6S2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-methoxy-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide
PubChem CID2289451
Molecular FormulaC12H11N3O6S2
Molecular Weight357.37 g/mol
Exact Mass357.01
IUPAC Name2-methoxy-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCOCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C12H11N3O6S2/c1-21-7-10(16)14-12-13-6-11(22-12)23(19,20)9-4-2-8(3-5-9)15(17)18/h2-6H,7H2,1H3,(H,13,14,16)
InChIKeyBSPFUVLICWUWDA-UHFFFAOYSA-N
XLogP1.47
TPSA128.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

p-Nitrophenyl-2-aminothiazol-5-ylsulphone
CID 1535
N-(5-((4-(Hydroxy(oxido)amino)phenyl)thio)-1,3-thiazol-2-yl)acetamide
CID 251939
2-Chloro-N-[5-[(4-nitrophenyl)sulfonyl]-2-thiazolyl]acetamide
CID 2172058
2-methyl-N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}pentanamide
CID 2905407
2-Acetamido-5-(4-nitrophenylsulfonyl)-thiazole
CID 251940
2,2-dimethyl-N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}butanamide
CID 1978861
1-[5-(4-Nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 2463388
3-acetamido-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]propanamide
CID 24687279
2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}acetamide
CID 135470546
2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 798094
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide
CID 1955363
N-(5-((4-nitrophenyl)sulfonyl)thiazol-2-yl)pentanamide
CID 2056033

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-methoxy-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide (CID 2289451) is 2-methoxy-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide is COCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of 2-methoxy-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is BSPFUVLICWUWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O6S2/c1-21-7-10(16)14-12-13-6-11(22-12)23(19,20)9-4-2-8(3-5-9)15(17)18/h2-6H,7H2,1H3,(H,13,14,16).
What are the key properties of 2-methoxy-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide?
2-methoxy-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 357.37 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2289451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).