ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate

C18H19NO3S — CID 9228238

IUPACethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CSc2ccc(C)cc2)c1
InChIInChI=1S/C18H19NO3S/c1-3-22-18(21)14-5-4-6-15(11-14)19-17(20)12-23-16-9-7-13(2)8-10-16/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKeyAXZRIJNHMKDDSY-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.90
Rot. Bonds6

About ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate

ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate (PubChem CID 9228238) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate
PubChem CID9228238
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Nameethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CSc2ccc(C)cc2)c1
InChIInChI=1S/C18H19NO3S/c1-3-22-18(21)14-5-4-6-15(11-14)19-17(20)12-23-16-9-7-13(2)8-10-16/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKeyAXZRIJNHMKDDSY-UHFFFAOYSA-N
XLogP3.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 46568360
N,N-dimethyl-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 32849543
ethyl 4-[[2-[4-[(3-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 22782235
2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 738709
ethyl 3-[[2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzoate
CID 44615734
ethyl 3-(3-oxobutanoylamino)benzoate
CID 18072873
ethyl 3-[[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
CID 7743079
ethyl 3-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoate
CID 39945920
ethyl 3-acetamidobenzoate
CID 700589
ethyl 4-[(2-phenylsulfanylacetyl)amino]benzoate
CID 2302545
ethyl 3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoate
CID 38005419
ethyl 3-[[2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]amino]benzoate
CID 27651728

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate?
The IUPAC name of ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate (CID 9228238) is ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)CSc2ccc(C)cc2)c1.
What is the InChIKey of ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate?
The InChIKey is AXZRIJNHMKDDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-3-22-18(21)14-5-4-6-15(11-14)19-17(20)12-23-16-9-7-13(2)8-10-16/h4-11H,3,12H2,1-2H3,(H,19,20).
What are the key properties of ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate?
ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate has a molecular weight of 329.42 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate is sourced from PubChem (CID 9228238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).