methyl 2-[(2-methoxy-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetate

C15H21NO6S — CID 3101202

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetate
SMILESCOC(=O)CN(CC(=O)OC)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H21NO6S/c1-10-6-11(2)15(12(3)7-10)23(19,20)16(8-13(17)21-4)9-14(18)22-5/h6-7H,8-9H2,1-5H3
InChIKeyPNDIGVZTDWGIKJ-UHFFFAOYSA-N
MW343.40 g/mol
LogP0.95
Rot. Bonds6

About methyl 2-[(2-methoxy-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetate (PubChem CID 3101202) has the molecular formula C15H21NO6S and a molecular weight of 343.40 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetate
PubChem CID3101202
Molecular FormulaC15H21NO6S
Molecular Weight343.40 g/mol
Exact Mass343.11
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetate
SMILESCOC(=O)CN(CC(=O)OC)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H21NO6S/c1-10-6-11(2)15(12(3)7-10)23(19,20)16(8-13(17)21-4)9-14(18)22-5/h6-7H,8-9H2,1-5H3
InChIKeyPNDIGVZTDWGIKJ-UHFFFAOYSA-N
XLogP0.95
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2-methoxy-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetate with MolForge

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Related Compounds

methyl 2-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-propylamino]acetate
CID 107326909
2-[(2-amino-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetic acid
CID 107435837
methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 79923482
N-methoxy-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)sulfonylbenzenesulfonamide
CID 169432194
methyl 2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate
CID 58393291
methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955213
2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate
CID 7439655
N,N-dihexyl-2,4,6-trimethylbenzenesulfonamide
CID 19682365
2,4,6-trimethyl-N-[3-[(2,4,6-trimethylphenyl)sulfonyl-[3-[(2,4,6-trimethylphenyl)sulfonyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propyl]amino]propyl]amino]propyl]benzenesulfonamide
CID 10056638
4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide
CID 69170687
3-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 39385586
N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide
CID 61425521

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetate (CID 3101202) is methyl 2-[(2-methoxy-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetate is COC(=O)CN(CC(=O)OC)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetate?
The InChIKey is PNDIGVZTDWGIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO6S/c1-10-6-11(2)15(12(3)7-10)23(19,20)16(8-13(17)21-4)9-14(18)22-5/h6-7H,8-9H2,1-5H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetate has a molecular weight of 343.40 g/mol, XLogP of 0.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 3101202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).