ethyl 2-[benzenesulfonyl(quinolin-6-yl)amino]acetate

C19H18N2O4S — CID 54114997

IUPACethyl 2-[benzenesulfonyl(quinolin-6-yl)amino]acetate
SMILESCCOC(=O)CN(c1ccc2ncccc2c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H18N2O4S/c1-2-25-19(22)14-21(26(23,24)17-8-4-3-5-9-17)16-10-11-18-15(13-16)7-6-12-20-18/h3-13H,2,14H2,1H3
InChIKeyNJSPLGBNCBJUNW-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.99
Rot. Bonds6

About ethyl 2-[benzenesulfonyl(quinolin-6-yl)amino]acetate

ethyl 2-[benzenesulfonyl(quinolin-6-yl)amino]acetate (PubChem CID 54114997) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is ethyl 2-[benzenesulfonyl(quinolin-6-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzenesulfonyl(quinolin-6-yl)amino]acetate
PubChem CID54114997
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Nameethyl 2-[benzenesulfonyl(quinolin-6-yl)amino]acetate
SMILESCCOC(=O)CN(c1ccc2ncccc2c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H18N2O4S/c1-2-25-19(22)14-21(26(23,24)17-8-4-3-5-9-17)16-10-11-18-15(13-16)7-6-12-20-18/h3-13H,2,14H2,1H3
InChIKeyNJSPLGBNCBJUNW-UHFFFAOYSA-N
XLogP2.99
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-quinolin-6-ylamino]-N-ethylacetamide
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2-[(4-tert-butylphenyl)sulfonyl-quinolin-6-ylamino]-N-cyclopropyl-N-[(3-methoxyphenyl)methyl]acetamide
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ethyl 2-[4-(cyanomethyl)-N-naphthalen-2-ylsulfonylanilino]acetate
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ethyl 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50890829
ethyl butanoate;quinoline
CID 174829531
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzenesulfonyl(quinolin-6-yl)amino]acetate?
The IUPAC name of ethyl 2-[benzenesulfonyl(quinolin-6-yl)amino]acetate (CID 54114997) is ethyl 2-[benzenesulfonyl(quinolin-6-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[benzenesulfonyl(quinolin-6-yl)amino]acetate?
The canonical SMILES for ethyl 2-[benzenesulfonyl(quinolin-6-yl)amino]acetate is CCOC(=O)CN(c1ccc2ncccc2c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl 2-[benzenesulfonyl(quinolin-6-yl)amino]acetate?
The InChIKey is NJSPLGBNCBJUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-2-25-19(22)14-21(26(23,24)17-8-4-3-5-9-17)16-10-11-18-15(13-16)7-6-12-20-18/h3-13H,2,14H2,1H3.
What are the key properties of ethyl 2-[benzenesulfonyl(quinolin-6-yl)amino]acetate?
ethyl 2-[benzenesulfonyl(quinolin-6-yl)amino]acetate has a molecular weight of 370.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzenesulfonyl(quinolin-6-yl)amino]acetate is sourced from PubChem (CID 54114997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).