(2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate

C16H17NO5S — CID 110670993

IUPAC(2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCOc1ccccc1OC(=O)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H17NO5S/c1-12-7-9-13(10-8-12)23(19,20)17-11-16(18)22-15-6-4-3-5-14(15)21-2/h3-10,17H,11H2,1-2H3
InChIKeyVSKNPLHGIFHXRH-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.89
Rot. Bonds6

About (2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate

(2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 110670993) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID110670993
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name(2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCOc1ccccc1OC(=O)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H17NO5S/c1-12-7-9-13(10-8-12)23(19,20)17-11-16(18)22-15-6-4-3-5-14(15)21-2/h3-10,17H,11H2,1-2H3
InChIKeyVSKNPLHGIFHXRH-UHFFFAOYSA-N
XLogP1.89
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate
CID 110670998
(4-methylphenyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 110670619
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8925115
benzhydryl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4043289
(2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate
CID 110670984
methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate
CID 8841355
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596265
(4-methylphenyl) 2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 110670646
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea
CID 32545082
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602582

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of (2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate (CID 110670993) is (2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for (2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for (2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate is COc1ccccc1OC(=O)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is VSKNPLHGIFHXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-12-7-9-13(10-8-12)23(19,20)17-11-16(18)22-15-6-4-3-5-14(15)21-2/h3-10,17H,11H2,1-2H3.
What are the key properties of (2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate?
(2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 335.38 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 110670993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).