(4-methylsulfanylphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate

C19H21NO4S — CID 7884966

IUPAC(4-methylsulfanylphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCc2ccc(SC)cc2)cc1
InChIInChI=1S/C19H21NO4S/c1-3-23-16-8-6-15(7-9-16)19(22)20-12-18(21)24-13-14-4-10-17(25-2)11-5-14/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyUEZBSTPUHIPCOS-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.28
Rot. Bonds8

About (4-methylsulfanylphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate

(4-methylsulfanylphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 7884966) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID7884966
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name(4-methylsulfanylphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCc2ccc(SC)cc2)cc1
InChIInChI=1S/C19H21NO4S/c1-3-23-16-8-6-15(7-9-16)19(22)20-12-18(21)24-13-14-4-10-17(25-2)11-5-14/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyUEZBSTPUHIPCOS-UHFFFAOYSA-N
XLogP3.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-[(4-ethoxybenzoyl)amino]acetyl]oxymethyl]benzoate
CID 7884840
(4-methylsulfanylphenyl)methyl 2-benzamidoacetate
CID 7783424
(2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 2554022
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884853
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
(4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 16578596
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 17349908
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884698
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27928826
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884944

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of (4-methylsulfanylphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate (CID 7884966) is (4-methylsulfanylphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for (4-methylsulfanylphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for (4-methylsulfanylphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCc2ccc(SC)cc2)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is UEZBSTPUHIPCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-3-23-16-8-6-15(7-9-16)19(22)20-12-18(21)24-13-14-4-10-17(25-2)11-5-14/h4-11H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of (4-methylsulfanylphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
(4-methylsulfanylphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 359.45 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7884966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).