ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate

C14H21NO5S — CID 60817410

IUPACethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C14H21NO5S/c1-5-19-14(16)9-15-21(17,18)12-6-7-13(11(4)8-12)20-10(2)3/h6-8,10,15H,5,9H2,1-4H3
InChIKeyXDLJOQUTLGBJQH-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.62
Rot. Bonds7

About ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate

ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate (PubChem CID 60817410) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate
PubChem CID60817410
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Nameethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C14H21NO5S/c1-5-19-14(16)9-15-21(17,18)12-6-7-13(11(4)8-12)20-10(2)3/h6-8,10,15H,5,9H2,1-4H3
InChIKeyXDLJOQUTLGBJQH-UHFFFAOYSA-N
XLogP1.62
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
N-(cyanomethyl)-2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 138997268
N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 119959966
N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 62664770
N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 64911448
N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 82294732
N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 115754460
ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-propan-2-ylamino]acetate
CID 55854442
N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 102697438
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234504
2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]butanoic acid
CID 43470047
5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid
CID 60812376

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate (CID 60817410) is ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1ccc(OC(C)C)c(C)c1.
What is the InChIKey of ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate?
The InChIKey is XDLJOQUTLGBJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-5-19-14(16)9-15-21(17,18)12-6-7-13(11(4)8-12)20-10(2)3/h6-8,10,15H,5,9H2,1-4H3.
What are the key properties of ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate?
ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate has a molecular weight of 315.39 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate is sourced from PubChem (CID 60817410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).