dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate

C19H19NO5S — CID 2210400

IUPACdimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate
SMILESCCSc1ccccc1C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1
InChIInChI=1S/C19H19NO5S/c1-4-26-16-8-6-5-7-15(16)17(21)20-14-10-12(18(22)24-2)9-13(11-14)19(23)25-3/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyOUHMPNVUXHQXHO-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.62
Rot. Bonds6

About dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate

dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate (PubChem CID 2210400) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate
PubChem CID2210400
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Namedimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate
SMILESCCSc1ccccc1C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1
InChIInChI=1S/C19H19NO5S/c1-4-26-16-8-6-5-7-15(16)17(21)20-14-10-12(18(22)24-2)9-13(11-14)19(23)25-3/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyOUHMPNVUXHQXHO-UHFFFAOYSA-N
XLogP3.62
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate 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

dimethyl 5-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55345944
N-(3-chlorophenyl)-2-ethylsulfanylbenzamide
CID 4631179
methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate
CID 2676410
N-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide
CID 4631711
N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide
CID 4631406
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658348
diethyl 5-[[2-(oxolan-2-ylmethylsulfanyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 55395617
dimethyl 5-[[3-[3,5-bis(methoxycarbonyl)anilino]-3-oxo-2-phenylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 3394738
2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 24624741
2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid
CID 17204466
dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 1378947
methyl 3-[(2-ethylbenzoyl)amino]benzoate
CID 81497347

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate (CID 2210400) is dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate is CCSc1ccccc1C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is OUHMPNVUXHQXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-4-26-16-8-6-5-7-15(16)17(21)20-14-10-12(18(22)24-2)9-13(11-14)19(23)25-3/h5-11H,4H2,1-3H3,(H,20,21).
What are the key properties of dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 373.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 2210400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).