(2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate

C18H16N2O4S2 — CID 4797377

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate
SMILESO=C(CNS(=O)(=O)c1ccccc1)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H16N2O4S2/c21-17(11-19-26(22,23)16-9-5-2-6-10-16)24-12-15-13-25-18(20-15)14-7-3-1-4-8-14/h1-10,13,19H,11-12H2
InChIKeyAJABNWVREHOXSG-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.83
Rot. Bonds7

About (2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate

(2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate (PubChem CID 4797377) has the molecular formula C18H16N2O4S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate
PubChem CID4797377
Molecular FormulaC18H16N2O4S2
Molecular Weight388.47 g/mol
Exact Mass388.06
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate
SMILESO=C(CNS(=O)(=O)c1ccccc1)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H16N2O4S2/c21-17(11-19-26(22,23)16-9-5-2-6-10-16)24-12-15-13-25-18(20-15)14-7-3-1-4-8-14/h1-10,13,19H,11-12H2
InChIKeyAJABNWVREHOXSG-UHFFFAOYSA-N
XLogP2.83
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 2408728
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(2-phenylethenylsulfonylamino)propanoate
CID 4797496
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 8523886
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 43033404
(2-phenyl-1,3-thiazol-4-yl)methyl 2-[bromo(triphenyl)-λ5-phosphanyl]acetate
CID 164942759
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
CID 55319347
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate
CID 75412679
(2-phenyl-1,3-thiazol-4-yl)methyl 3-[(4-methylphenyl)sulfamoyl]benzoate
CID 25039398
(2-phenyl-1,3-thiazol-4-yl)methyl 3-[(2-chlorophenyl)sulfamoyl]benzoate
CID 25038213
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate
CID 23962440
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate
CID 31276009
(2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate
CID 7478095

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate (CID 4797377) is (2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate is O=C(CNS(=O)(=O)c1ccccc1)OCc1csc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate?
The InChIKey is AJABNWVREHOXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S2/c21-17(11-19-26(22,23)16-9-5-2-6-10-16)24-12-15-13-25-18(20-15)14-7-3-1-4-8-14/h1-10,13,19H,11-12H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate has a molecular weight of 388.47 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate is sourced from PubChem (CID 4797377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).