ethyl 2-[2-[(4-acetamidophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate

C15H17N3O5S2 — CID 3145079

IUPACethyl 2-[2-[(4-acetamidophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C15H17N3O5S2/c1-3-23-14(20)8-12-9-24-15(17-12)18-25(21,22)13-6-4-11(5-7-13)16-10(2)19/h4-7,9H,3,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyVISGQGQJQWSXHJ-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.01
Rot. Bonds7

About ethyl 2-[2-[(4-acetamidophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(4-acetamidophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 3145079) has the molecular formula C15H17N3O5S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl 2-[2-[(4-acetamidophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-acetamidophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
PubChem CID3145079
Molecular FormulaC15H17N3O5S2
Molecular Weight383.45 g/mol
Exact Mass383.06
IUPAC Nameethyl 2-[2-[(4-acetamidophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C15H17N3O5S2/c1-3-23-14(20)8-12-9-24-15(17-12)18-25(21,22)13-6-4-11(5-7-13)16-10(2)19/h4-7,9H,3,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyVISGQGQJQWSXHJ-UHFFFAOYSA-N
XLogP2.01
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-Thiazoleacetic acid, 2-[[[(4-fluorophenyl)amino]carbonyl]amino]-, ethyl ester
CID 2813998
[2-(3-Nitro-benzenesulfonylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 3105419
Ethyl (2-{[(4-nitrophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 1931972
Ethyl 2-{2-[(anilinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 728643
Methyl 2-[2-(phenylamino)-1,3-thiazol-4-yl]acetate
CID 1528685
Ethyl 2-[2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 5140468
Ethyl {2-[(phenylsulfonyl)amino]-1,3-thiazol-4-yl}acetate
CID 717505
2-(4-Acetylamino-benzenesulfonylamino)-4-methyl-thiazole-5-carboxylic acid ethyl ester
CID 649325
N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1213365
2-(2-benzenesulfonamido-1,3-thiazol-4-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
CID 18572055
Methyl 3-[(4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoate
CID 163201221
Ethyl [2-({[4-(methylsulfanyl)phenyl]sulfonyl}amino)-1,3-thiazol-4-yl]acetate
CID 1250173

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-acetamidophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-acetamidophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (CID 3145079) is ethyl 2-[2-[(4-acetamidophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-acetamidophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-acetamidophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)n1.
What is the InChIKey of ethyl 2-[2-[(4-acetamidophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is VISGQGQJQWSXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S2/c1-3-23-14(20)8-12-9-24-15(17-12)18-25(21,22)13-6-4-11(5-7-13)16-10(2)19/h4-7,9H,3,8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of ethyl 2-[2-[(4-acetamidophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4-acetamidophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 383.45 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-acetamidophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 3145079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).