(2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate

C17H19NO5S — CID 110670998

IUPAC(2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate
SMILESCOc1ccccc1OC(=O)CNS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C17H19NO5S/c1-12-8-9-16(13(2)10-12)24(20,21)18-11-17(19)23-15-7-5-4-6-14(15)22-3/h4-10,18H,11H2,1-3H3
InChIKeyPLOQLDJLNVBUFT-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.20
Rot. Bonds6

About (2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate

(2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate (PubChem CID 110670998) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate
PubChem CID110670998
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name(2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate
SMILESCOc1ccccc1OC(=O)CNS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C17H19NO5S/c1-12-8-9-16(13(2)10-12)24(20,21)18-11-17(19)23-15-7-5-4-6-14(15)22-3/h4-10,18H,11H2,1-3H3
InChIKeyPLOQLDJLNVBUFT-UHFFFAOYSA-N
XLogP2.20
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.20
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-[(4-methylphenyl)sulfonylamino]acetate
CID 110670993
(3-methylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate
CID 110670472
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate
CID 7977297
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996080
(4-methylphenyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 110670619
(3-ethylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate
CID 110670896
(2-methylphenyl) 2-[(2-chlorophenyl)sulfonylamino]acetate
CID 110670356
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzenesulfonamide
CID 60529924
methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate
CID 43257168
3-[(2,4-dimethylphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936827
2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 9190953
2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 112992116

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate?
The IUPAC name of (2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate (CID 110670998) is (2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate.
What is the SMILES notation for (2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate?
The canonical SMILES for (2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate is COc1ccccc1OC(=O)CNS(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of (2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate?
The InChIKey is PLOQLDJLNVBUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-12-8-9-16(13(2)10-12)24(20,21)18-11-17(19)23-15-7-5-4-6-14(15)22-3/h4-10,18H,11H2,1-3H3.
What are the key properties of (2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate?
(2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate has a molecular weight of 349.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 110670998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).