methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate

C14H21NO5S — CID 61072284

IUPACmethyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H21NO5S/c1-5-8-15(10-14(16)20-4)21(17,18)13-9-11(2)6-7-12(13)19-3/h6-7,9H,5,8,10H2,1-4H3
InChIKeyGWCKYSQHQPFMCS-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.58
Rot. Bonds7

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

methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate (PubChem CID 61072284) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate
PubChem CID61072284
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Namemethyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H21NO5S/c1-5-8-15(10-14(16)20-4)21(17,18)13-9-11(2)6-7-12(13)19-3/h6-7,9H,5,8,10H2,1-4H3
InChIKeyGWCKYSQHQPFMCS-UHFFFAOYSA-N
XLogP1.58
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 45372284
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate
CID 2234317
N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 5175531
2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 166187507
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 3271656
N-ethyl-2-methoxy-5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 2986189
methyl 2-[(2-amino-4-methylphenyl)sulfonyl-ethylamino]acetate
CID 54998555
5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide
CID 7749525
methyl 2-[(4-bromo-2-fluorophenyl)sulfonyl-propylamino]acetate
CID 116528004
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 3632011
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
CID 45372312
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate
CID 7473070

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate (CID 61072284) is methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate is CCCN(CC(=O)OC)S(=O)(=O)c1cc(C)ccc1OC.
What is the InChIKey of methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate?
The InChIKey is GWCKYSQHQPFMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-5-8-15(10-14(16)20-4)21(17,18)13-9-11(2)6-7-12(13)19-3/h6-7,9H,5,8,10H2,1-4H3.
What are the key properties of methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate?
methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate has a molecular weight of 315.39 g/mol, XLogP of 1.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate is sourced from PubChem (CID 61072284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).