ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate

C19H21NO3S — CID 2669314

IUPACethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CSCc1ccccc1C
InChIInChI=1S/C19H21NO3S/c1-3-23-19(22)16-10-6-7-11-17(16)20-18(21)13-24-12-15-9-5-4-8-14(15)2/h4-11H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyQEKFDORQBJJODM-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.04
Rot. Bonds7

About ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate

ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate (PubChem CID 2669314) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate
PubChem CID2669314
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Nameethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CSCc1ccccc1C
InChIInChI=1S/C19H21NO3S/c1-3-23-19(22)16-10-6-7-11-17(16)20-18(21)13-24-12-15-9-5-4-8-14(15)2/h4-11H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyQEKFDORQBJJODM-UHFFFAOYSA-N
XLogP4.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 983046
N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874
ethyl 2-[[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7746803
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[(2-methylphenyl)methylamino]benzoate
CID 43217386
ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate
CID 28712736
ethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate
CID 8604583
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 724647
N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 62770873
ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 7254831
2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 126032735

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate (CID 2669314) is ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CSCc1ccccc1C.
What is the InChIKey of ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate?
The InChIKey is QEKFDORQBJJODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-3-23-19(22)16-10-6-7-11-17(16)20-18(21)13-24-12-15-9-5-4-8-14(15)2/h4-11H,3,12-13H2,1-2H3,(H,20,21).
What are the key properties of ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate?
ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate has a molecular weight of 343.45 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate is sourced from PubChem (CID 2669314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).