(3-methylphenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate

C19H22N2O5S — CID 9061287

IUPAC(3-methylphenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O5S/c1-14-6-8-17(9-7-14)27(24,25)21-11-18(22)20-12-19(23)26-13-16-5-3-4-15(2)10-16/h3-10,21H,11-13H2,1-2H3,(H,20,22)
InChIKeyVAZMYAOXBMELFW-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.44
Rot. Bonds8

About (3-methylphenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate

(3-methylphenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate (PubChem CID 9061287) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is (3-methylphenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate.

Molecular Properties

Compound Name(3-methylphenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
PubChem CID9061287
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name(3-methylphenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O5S/c1-14-6-8-17(9-7-14)27(24,25)21-11-18(22)20-12-19(23)26-13-16-5-3-4-15(2)10-16/h3-10,21H,11-13H2,1-2H3,(H,20,22)
InChIKeyVAZMYAOXBMELFW-UHFFFAOYSA-N
XLogP1.44
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 7839574
benzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate
CID 24643715
benzyl 2-[(3-methylphenyl)sulfonylamino]acetate
CID 3735123
2-[(4-chlorophenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 112992196
N-(3-ethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24536492
N-[(3-chlorophenyl)methyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9209869
(3-methylphenyl)methyl 2-[(2-phenoxyacetyl)amino]acetate
CID 42979993
[2-(cyclopropylamino)-2-oxoethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 9061234
benzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 4017007
[(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 9061289
2-[(3-methylphenyl)methoxy]-2-oxoethanesulfonic acid
CID 158070413
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596226

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate?
The IUPAC name of (3-methylphenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate (CID 9061287) is (3-methylphenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate.
What is the SMILES notation for (3-methylphenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate?
The canonical SMILES for (3-methylphenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCc2cccc(C)c2)cc1.
What is the InChIKey of (3-methylphenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate?
The InChIKey is VAZMYAOXBMELFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-14-6-8-17(9-7-14)27(24,25)21-11-18(22)20-12-19(23)26-13-16-5-3-4-15(2)10-16/h3-10,21H,11-13H2,1-2H3,(H,20,22).
What are the key properties of (3-methylphenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate?
(3-methylphenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate has a molecular weight of 390.46 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate is sourced from PubChem (CID 9061287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).