methyl 2-[[2-(5-chloro-2-methyl-3-methylsulfonylanilino)acetyl]amino]benzoate

C18H19ClN2O5S — CID 22304180

IUPACmethyl 2-[[2-(5-chloro-2-methyl-3-methylsulfonylanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNc1cc(Cl)cc(S(C)(=O)=O)c1C
InChIInChI=1S/C18H19ClN2O5S/c1-11-15(8-12(19)9-16(11)27(3,24)25)20-10-17(22)21-14-7-5-4-6-13(14)18(23)26-2/h4-9,20H,10H2,1-3H3,(H,21,22)
InChIKeyQPCKOGZXFIWXCJ-UHFFFAOYSA-N
MW410.88 g/mol
LogP2.89
Rot. Bonds6

About methyl 2-[[2-(5-chloro-2-methyl-3-methylsulfonylanilino)acetyl]amino]benzoate

methyl 2-[[2-(5-chloro-2-methyl-3-methylsulfonylanilino)acetyl]amino]benzoate (PubChem CID 22304180) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is methyl 2-[[2-(5-chloro-2-methyl-3-methylsulfonylanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(5-chloro-2-methyl-3-methylsulfonylanilino)acetyl]amino]benzoate
PubChem CID22304180
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC Namemethyl 2-[[2-(5-chloro-2-methyl-3-methylsulfonylanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNc1cc(Cl)cc(S(C)(=O)=O)c1C
InChIInChI=1S/C18H19ClN2O5S/c1-11-15(8-12(19)9-16(11)27(3,24)25)20-10-17(22)21-14-7-5-4-6-13(14)18(23)26-2/h4-9,20H,10H2,1-3H3,(H,21,22)
InChIKeyQPCKOGZXFIWXCJ-UHFFFAOYSA-N
XLogP2.89
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-(5-chloro-2-methyl-3-methylsulfonylanilino)acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 55434529
2-(5-chloro-2-methyl-3-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 22304304
methyl 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 37472030
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
methyl 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 109010077
methyl 2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 37472105
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate
CID 37472062
methyl 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 37471922
methyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate
CID 9101546
ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate
CID 26507234
methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate
CID 9103322
methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate
CID 112999796

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(5-chloro-2-methyl-3-methylsulfonylanilino)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(5-chloro-2-methyl-3-methylsulfonylanilino)acetyl]amino]benzoate (CID 22304180) is methyl 2-[[2-(5-chloro-2-methyl-3-methylsulfonylanilino)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(5-chloro-2-methyl-3-methylsulfonylanilino)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(5-chloro-2-methyl-3-methylsulfonylanilino)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CNc1cc(Cl)cc(S(C)(=O)=O)c1C.
What is the InChIKey of methyl 2-[[2-(5-chloro-2-methyl-3-methylsulfonylanilino)acetyl]amino]benzoate?
The InChIKey is QPCKOGZXFIWXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c1-11-15(8-12(19)9-16(11)27(3,24)25)20-10-17(22)21-14-7-5-4-6-13(14)18(23)26-2/h4-9,20H,10H2,1-3H3,(H,21,22).
What are the key properties of methyl 2-[[2-(5-chloro-2-methyl-3-methylsulfonylanilino)acetyl]amino]benzoate?
methyl 2-[[2-(5-chloro-2-methyl-3-methylsulfonylanilino)acetyl]amino]benzoate has a molecular weight of 410.88 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(5-chloro-2-methyl-3-methylsulfonylanilino)acetyl]amino]benzoate is sourced from PubChem (CID 22304180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).