2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate

C11H14NO5S- — CID 7473070

IUPAC2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)[O-]
InChIInChI=1S/C11H15NO5S/c1-8-4-5-9(17-3)10(6-8)18(15,16)12(2)7-11(13)14/h4-6H,7H2,1-3H3,(H,13,14)/p-1
InChIKeyMWAUMGVPKFBQTA-UHFFFAOYSA-M
MW272.30 g/mol
LogP-0.63
Rot. Bonds5

About 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate

2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate (PubChem CID 7473070) has the molecular formula C11H14NO5S- and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate
PubChem CID7473070
Molecular FormulaC11H14NO5S-
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)[O-]
InChIInChI=1S/C11H15NO5S/c1-8-4-5-9(17-3)10(6-8)18(15,16)12(2)7-11(13)14/h4-6H,7H2,1-3H3,(H,13,14)/p-1
InChIKeyMWAUMGVPKFBQTA-UHFFFAOYSA-M
XLogP-0.63
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate
CID 2234317
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 3271656
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetate
CID 6957292
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1294275
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 4023832
N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 107203068
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43891537
N-(4-ethoxyphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 2989117
N-[1-(4-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 43891536
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(3-methylphenyl)methylideneamino]acetamide
CID 3251589
2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 8796550
N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8797935

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate (CID 7473070) is 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate is COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)[O-].
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate?
The InChIKey is MWAUMGVPKFBQTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15NO5S/c1-8-4-5-9(17-3)10(6-8)18(15,16)12(2)7-11(13)14/h4-6H,7H2,1-3H3,(H,13,14)/p-1.
What are the key properties of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate?
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate has a molecular weight of 272.30 g/mol, XLogP of -0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 7473070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).