methyl 2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate

C17H15Cl2NO3S — CID 2232176

IUPACmethyl 2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2NO3S/c1-23-17(22)13-4-2-3-5-15(13)20-16(21)10-24-9-11-6-7-12(18)8-14(11)19/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyXDOONLGEUOGHSY-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.65
Rot. Bonds6

About methyl 2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate

methyl 2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate (PubChem CID 2232176) has the molecular formula C17H15Cl2NO3S and a molecular weight of 384.28 g/mol. Its IUPAC name is methyl 2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate
PubChem CID2232176
Molecular FormulaC17H15Cl2NO3S
Molecular Weight384.28 g/mol
Exact Mass383.01
IUPAC Namemethyl 2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2NO3S/c1-23-17(22)13-4-2-3-5-15(13)20-16(21)10-24-9-11-6-7-12(18)8-14(11)19/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyXDOONLGEUOGHSY-UHFFFAOYSA-N
XLogP4.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-Dichloro-3-methylphenyl)amino]benzoate
CID 4036
Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, methyl ester
CID 76743
Terofenamate
CID 65763
2-Acetamido-5-chlorobenzoic Acid Methyl Ester
CID 4640571
3-({[(2,4-Dichlorobenzyl)thio]acetyl}amino)-2-methylbenzoic acid
CID 2204187
2-{[3-({[(4-Chlorobenzyl)thio]acetyl}amino)benzoyl]amino}benzoic acid
CID 1230936
2-[[1-Oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl ester
CID 2272355
Methyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-chlorobenzoate
CID 24990740
Methyl 2-(4-chlorobenzamido)benzoate
CID 779970
Methyl N-(3-chlorobenzoyl)anthranilate
CID 306211
2-(2-Phenylsulfanyl-acetylamino)-benzoic acid ethyl ester
CID 846473
Methyl 2-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate
CID 904035

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate (CID 2232176) is methyl 2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate?
The InChIKey is XDOONLGEUOGHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3S/c1-23-17(22)13-4-2-3-5-15(13)20-16(21)10-24-9-11-6-7-12(18)8-14(11)19/h2-8H,9-10H2,1H3,(H,20,21).
What are the key properties of methyl 2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate?
methyl 2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate has a molecular weight of 384.28 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate is sourced from PubChem (CID 2232176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).