[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate

C18H19NO3S2 — CID 8658386

IUPAC[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate
SMILESCCSc1ccccc1C(=O)OCC(=O)Nc1ccccc1SC
InChIInChI=1S/C18H19NO3S2/c1-3-24-15-10-6-4-8-13(15)18(21)22-12-17(20)19-14-9-5-7-11-16(14)23-2/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKeyIOFBLGRCJCDKKE-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.32
Rot. Bonds7

About [2-(2-methylsulfanylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate

[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate (PubChem CID 8658386) has the molecular formula C18H19NO3S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is [2-(2-methylsulfanylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate.

Molecular Properties

Compound Name[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate
PubChem CID8658386
Molecular FormulaC18H19NO3S2
Molecular Weight361.49 g/mol
Exact Mass361.08
IUPAC Name[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate
SMILESCCSc1ccccc1C(=O)OCC(=O)Nc1ccccc1SC
InChIInChI=1S/C18H19NO3S2/c1-3-24-15-10-6-4-8-13(15)18(21)22-12-17(20)19-14-9-5-7-11-16(14)23-2/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKeyIOFBLGRCJCDKKE-UHFFFAOYSA-N
XLogP4.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-methylsulfanylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate 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

[2-(2-nitroanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658420
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658226
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7863056
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658348
[2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658293
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658568
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 3503829
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658714
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate
CID 23991848
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(3,4-diethoxybenzoyl)benzoate
CID 29320674
[2-(2-acetylanilino)-2-oxoethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 7645231

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylsulfanylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate?
The IUPAC name of [2-(2-methylsulfanylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate (CID 8658386) is [2-(2-methylsulfanylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate.
What is the SMILES notation for [2-(2-methylsulfanylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate?
The canonical SMILES for [2-(2-methylsulfanylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate is CCSc1ccccc1C(=O)OCC(=O)Nc1ccccc1SC.
What is the InChIKey of [2-(2-methylsulfanylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate?
The InChIKey is IOFBLGRCJCDKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S2/c1-3-24-15-10-6-4-8-13(15)18(21)22-12-17(20)19-14-9-5-7-11-16(14)23-2/h4-11H,3,12H2,1-2H3,(H,19,20).
What are the key properties of [2-(2-methylsulfanylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate?
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate has a molecular weight of 361.49 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylsulfanylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate is sourced from PubChem (CID 8658386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).