ethyl 2-[2-(naphthalen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate

C17H16N2O4S2 — CID 1101317

IUPACethyl 2-[2-(naphthalen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C17H16N2O4S2/c1-2-23-16(20)10-14-11-24-17(18-14)19-25(21,22)15-8-7-12-5-3-4-6-13(12)9-15/h3-9,11H,2,10H2,1H3,(H,18,19)
InChIKeyJJWLUBGKRMKXNK-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.20
Rot. Bonds6

About ethyl 2-[2-(naphthalen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(naphthalen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 1101317) has the molecular formula C17H16N2O4S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is ethyl 2-[2-(naphthalen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(naphthalen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID1101317
Molecular FormulaC17H16N2O4S2
Molecular Weight376.46 g/mol
Exact Mass376.06
IUPAC Nameethyl 2-[2-(naphthalen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C17H16N2O4S2/c1-2-23-16(20)10-14-11-24-17(18-14)19-25(21,22)15-8-7-12-5-3-4-6-13(12)9-15/h3-9,11H,2,10H2,1H3,(H,18,19)
InChIKeyJJWLUBGKRMKXNK-UHFFFAOYSA-N
XLogP3.20
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(naphthalen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(naphthalen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate (CID 1101317) is ethyl 2-[2-(naphthalen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(naphthalen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(naphthalen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc3ccccc3c2)n1.
What is the InChIKey of ethyl 2-[2-(naphthalen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is JJWLUBGKRMKXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S2/c1-2-23-16(20)10-14-11-24-17(18-14)19-25(21,22)15-8-7-12-5-3-4-6-13(12)9-15/h3-9,11H,2,10H2,1H3,(H,18,19).
What are the key properties of ethyl 2-[2-(naphthalen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(naphthalen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 376.46 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(naphthalen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 1101317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).