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

C22H18N2O4S2 — CID 2500386

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C22H18N2O4S2/c25-21(28-14-19-15-29-22(24-19)17-7-2-1-3-8-17)13-23-30(26,27)20-11-10-16-6-4-5-9-18(16)12-20/h1-12,15,23H,13-14H2
InChIKeyFYKUUSGGOBFECE-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.98
Rot. Bonds7

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

(2-phenyl-1,3-thiazol-4-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate (PubChem CID 2500386) has the molecular formula C22H18N2O4S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
PubChem CID2500386
Molecular FormulaC22H18N2O4S2
Molecular Weight438.53 g/mol
Exact Mass438.07
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C22H18N2O4S2/c25-21(28-14-19-15-29-22(24-19)17-7-2-1-3-8-17)13-23-30(26,27)20-11-10-16-6-4-5-9-18(16)12-20/h1-12,15,23H,13-14H2
InChIKeyFYKUUSGGOBFECE-UHFFFAOYSA-N
XLogP3.98
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(3-chlorophenyl)sulfonylamino]acetate
CID 2467851
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2110219
[2-[2-(2-Methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 25162648
(2-Phenyl-1,3-thiazol-4-yl)methyl 3-(benzenesulfonyl)propanoate
CID 2118237
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate
CID 4797377
(2-phenyl-1,3-thiazol-4-yl)methyl (2S)-4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate
CID 2424386
(2-phenyl-1,3-thiazol-4-yl)methyl (2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate
CID 2424387
(2-Phenyl-1,3-thiazol-4-yl)methyl 4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate
CID 3991329
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 4856749
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954090
[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]methyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate
CID 17568623
[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 24330274

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate (CID 2500386) is (2-phenyl-1,3-thiazol-4-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate is O=C(CNS(=O)(=O)c1ccc2ccccc2c1)OCc1csc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate?
The InChIKey is FYKUUSGGOBFECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S2/c25-21(28-14-19-15-29-22(24-19)17-7-2-1-3-8-17)13-23-30(26,27)20-11-10-16-6-4-5-9-18(16)12-20/h1-12,15,23H,13-14H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate has a molecular weight of 438.53 g/mol, XLogP of 3.98, 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-(naphthalen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 2500386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).