(3-methylphenyl) 2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate

C18H21NO5S — CID 110670495

IUPAC(3-methylphenyl) 2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate
SMILESCOc1cc(C)c(S(=O)(=O)NCC(=O)Oc2cccc(C)c2)c(C)c1
InChIInChI=1S/C18H21NO5S/c1-12-6-5-7-15(8-12)24-17(20)11-19-25(21,22)18-13(2)9-16(23-4)10-14(18)3/h5-10,19H,11H2,1-4H3
InChIKeyCWLMKZBELFCMIR-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.50
Rot. Bonds6

About (3-methylphenyl) 2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate

(3-methylphenyl) 2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate (PubChem CID 110670495) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is (3-methylphenyl) 2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(3-methylphenyl) 2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate
PubChem CID110670495
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name(3-methylphenyl) 2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate
SMILESCOc1cc(C)c(S(=O)(=O)NCC(=O)Oc2cccc(C)c2)c(C)c1
InChIInChI=1S/C18H21NO5S/c1-12-6-5-7-15(8-12)24-17(20)11-19-25(21,22)18-13(2)9-16(23-4)10-14(18)3/h5-10,19H,11H2,1-4H3
InChIKeyCWLMKZBELFCMIR-UHFFFAOYSA-N
XLogP2.50
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3-methylphenyl) 2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate
CID 110670472
(3-ethylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate
CID 110670896
N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 772299
bis(3-methylphenyl) pentanedioate
CID 70246036
N-[4-(dimethylamino)phenyl]-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 110407309
(3-methylphenyl) 2-(2,2-dimethylpropanoylamino)acetate
CID 110670400
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110370799
2-(3-methylphenoxy)ethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234461
(2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate
CID 110670998
N-(4-hydroxy-2-methylbutyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 66108014
5-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]pentanoic acid
CID 62034487
bis(3-methylphenyl) 2-methylidenebutanedioate
CID 71403365

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl) 2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate?
The IUPAC name of (3-methylphenyl) 2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate (CID 110670495) is (3-methylphenyl) 2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate.
What is the SMILES notation for (3-methylphenyl) 2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate?
The canonical SMILES for (3-methylphenyl) 2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate is COc1cc(C)c(S(=O)(=O)NCC(=O)Oc2cccc(C)c2)c(C)c1.
What is the InChIKey of (3-methylphenyl) 2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate?
The InChIKey is CWLMKZBELFCMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-12-6-5-7-15(8-12)24-17(20)11-19-25(21,22)18-13(2)9-16(23-4)10-14(18)3/h5-10,19H,11H2,1-4H3.
What are the key properties of (3-methylphenyl) 2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate?
(3-methylphenyl) 2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate has a molecular weight of 363.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl) 2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 110670495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).