methyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate

C13H17NO3S — CID 54979363

IUPACmethyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1ccc(SC)cc1
InChIInChI=1S/C13H17NO3S/c1-4-14(9-12(15)17-2)13(16)10-5-7-11(18-3)8-6-10/h5-8H,4,9H2,1-3H3
InChIKeyJXYVFICHJXAFTQ-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.04
Rot. Bonds5

About methyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate

methyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate (PubChem CID 54979363) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is methyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate
PubChem CID54979363
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Namemethyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1ccc(SC)cc1
InChIInChI=1S/C13H17NO3S/c1-4-14(9-12(15)17-2)13(16)10-5-7-11(18-3)8-6-10/h5-8H,4,9H2,1-3H3
InChIKeyJXYVFICHJXAFTQ-UHFFFAOYSA-N
XLogP2.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-methylsulfanylbenzamide;ethane
CID 145226293
methyl 2-[benzoyl(ethyl)amino]acetate
CID 57002755
methyl 2-[ethyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetate
CID 61383449
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide
CID 78816760
methyl 2-[ethyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 54979638
methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952978
methyl 2-[ethyl-(4-fluoro-3-nitrobenzoyl)amino]acetate
CID 61409834
methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate
CID 54979100
methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-ethylamino]acetate
CID 54979060
methyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate
CID 61383603
methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate
CID 61383269
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate?
The IUPAC name of methyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate (CID 54979363) is methyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate is CCN(CC(=O)OC)C(=O)c1ccc(SC)cc1.
What is the InChIKey of methyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate?
The InChIKey is JXYVFICHJXAFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-4-14(9-12(15)17-2)13(16)10-5-7-11(18-3)8-6-10/h5-8H,4,9H2,1-3H3.
What are the key properties of methyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate?
methyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate has a molecular weight of 267.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate is sourced from PubChem (CID 54979363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).