methyl 2-[(2,5-dichloro-4-methylsulfanylbenzoyl)amino]acetate

C11H11Cl2NO3S — CID 59888546

IUPACmethyl 2-[(2,5-dichloro-4-methylsulfanylbenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(Cl)c(SC)cc1Cl
InChIInChI=1S/C11H11Cl2NO3S/c1-17-10(15)5-14-11(16)6-3-8(13)9(18-2)4-7(6)12/h3-4H,5H2,1-2H3,(H,14,16)
InChIKeyFORDXBWGQXQHEH-UHFFFAOYSA-N
MW308.19 g/mol
LogP2.62
Rot. Bonds4

About methyl 2-[(2,5-dichloro-4-methylsulfanylbenzoyl)amino]acetate

methyl 2-[(2,5-dichloro-4-methylsulfanylbenzoyl)amino]acetate (PubChem CID 59888546) has the molecular formula C11H11Cl2NO3S and a molecular weight of 308.19 g/mol. Its IUPAC name is methyl 2-[(2,5-dichloro-4-methylsulfanylbenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dichloro-4-methylsulfanylbenzoyl)amino]acetate
PubChem CID59888546
Molecular FormulaC11H11Cl2NO3S
Molecular Weight308.19 g/mol
Exact Mass306.98
IUPAC Namemethyl 2-[(2,5-dichloro-4-methylsulfanylbenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(Cl)c(SC)cc1Cl
InChIInChI=1S/C11H11Cl2NO3S/c1-17-10(15)5-14-11(16)6-3-8(13)9(18-2)4-7(6)12/h3-4H,5H2,1-2H3,(H,14,16)
InChIKeyFORDXBWGQXQHEH-UHFFFAOYSA-N
XLogP2.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 6469574
N-(3-aminopropyl)-2,4-dichloro-5-methylsulfanylbenzamide
CID 119406414
2,4-dichloro-N-[3-(methylamino)propyl]-5-methylsulfanylbenzamide
CID 119431280
methyl 2-[(2-amino-4-bromo-5-chloro-3-fluorobenzoyl)amino]acetate
CID 135283708
2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride
CID 119506464
N-(3-amino-2-methylpropyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
CID 119996337
methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate
CID 27682431
N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
CID 119522762
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate
CID 47190528
2-chloro-4,5-dimethoxy-N-(2-oxopropyl)benzamide
CID 123584135
2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-methylsulfanylbenzamide
CID 97321033

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dichloro-4-methylsulfanylbenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(2,5-dichloro-4-methylsulfanylbenzoyl)amino]acetate (CID 59888546) is methyl 2-[(2,5-dichloro-4-methylsulfanylbenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2,5-dichloro-4-methylsulfanylbenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(2,5-dichloro-4-methylsulfanylbenzoyl)amino]acetate is COC(=O)CNC(=O)c1cc(Cl)c(SC)cc1Cl.
What is the InChIKey of methyl 2-[(2,5-dichloro-4-methylsulfanylbenzoyl)amino]acetate?
The InChIKey is FORDXBWGQXQHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3S/c1-17-10(15)5-14-11(16)6-3-8(13)9(18-2)4-7(6)12/h3-4H,5H2,1-2H3,(H,14,16).
What are the key properties of methyl 2-[(2,5-dichloro-4-methylsulfanylbenzoyl)amino]acetate?
methyl 2-[(2,5-dichloro-4-methylsulfanylbenzoyl)amino]acetate has a molecular weight of 308.19 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dichloro-4-methylsulfanylbenzoyl)amino]acetate is sourced from PubChem (CID 59888546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).