methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate

C14H21NO5S — CID 79481278

IUPACmethyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate
SMILESCOCCN(CCC(=O)OC)S(=O)(=O)c1ccccc1C
InChIInChI=1S/C14H21NO5S/c1-12-6-4-5-7-13(12)21(17,18)15(10-11-19-2)9-8-14(16)20-3/h4-7H,8-11H2,1-3H3
InChIKeyCKTFCZZVBBKGJL-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.20
Rot. Bonds8

About methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate

methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate (PubChem CID 79481278) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate
PubChem CID79481278
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Namemethyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate
SMILESCOCCN(CCC(=O)OC)S(=O)(=O)c1ccccc1C
InChIInChI=1S/C14H21NO5S/c1-12-6-4-5-7-13(12)21(17,18)15(10-11-19-2)9-8-14(16)20-3/h4-7H,8-11H2,1-3H3
InChIKeyCKTFCZZVBBKGJL-UHFFFAOYSA-N
XLogP1.20
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-methoxyethyl-(5-methylthiophen-2-yl)sulfonylamino]propanoate
CID 78959599
N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide
CID 103340514
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
CID 78959091
methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
CID 115533331
methyl 3-[ethyl-(2-fluorophenyl)sulfonylamino]propanoate
CID 51891975
methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate
CID 78959529
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61125699
methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate
CID 115536179
N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 55512150
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 115754224
methyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
CID 115533310
N-(2-bromoethyl)-2-methyl-N-propylbenzenesulfonamide
CID 80673519

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate (CID 79481278) is methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate is COCCN(CCC(=O)OC)S(=O)(=O)c1ccccc1C.
What is the InChIKey of methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate?
The InChIKey is CKTFCZZVBBKGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-12-6-4-5-7-13(12)21(17,18)15(10-11-19-2)9-8-14(16)20-3/h4-7H,8-11H2,1-3H3.
What are the key properties of methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate?
methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate has a molecular weight of 315.39 g/mol, XLogP of 1.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 79481278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).