2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid

C15H21NO6S — CID 119189031

IUPAC2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
SMILESCCS(=O)(=O)c1ccc(CC(=O)N(CCOC)CC(=O)O)cc1
InChIInChI=1S/C15H21NO6S/c1-3-23(20,21)13-6-4-12(5-7-13)10-14(17)16(8-9-22-2)11-15(18)19/h4-7H,3,8-11H2,1-2H3,(H,18,19)
InChIKeySPNMGQJTZUGVTI-UHFFFAOYSA-N
MW343.40 g/mol
LogP0.58
Rot. Bonds9

About 2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid

2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 119189031) has the molecular formula C15H21NO6S and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID119189031
Molecular FormulaC15H21NO6S
Molecular Weight343.40 g/mol
Exact Mass343.11
IUPAC Name2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
SMILESCCS(=O)(=O)c1ccc(CC(=O)N(CCOC)CC(=O)O)cc1
InChIInChI=1S/C15H21NO6S/c1-3-23(20,21)13-6-4-12(5-7-13)10-14(17)16(8-9-22-2)11-15(18)19/h4-7H,3,8-11H2,1-2H3,(H,18,19)
InChIKeySPNMGQJTZUGVTI-UHFFFAOYSA-N
XLogP0.58
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid
CID 54969241
2-[3-(4-ethylsulfonylphenyl)propanoyl-propylamino]acetic acid
CID 120519625
2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 120516212
2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119348042
2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
CID 119348164
2-[4-[4-(3-methoxypropylsulfonyl)phenyl]phenyl]acetic acid
CID 58150647
2-[2-methoxyethyl-[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid
CID 119189305
2-[(4-ethylsulfonylphenyl)methyl-methylamino]acetic acid
CID 98018398
N-benzyl-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 78781458
2-[[(4-ethylphenyl)-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79269819
2-[[4-(2-methoxyethylsulfonyl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192904
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid (CID 119189031) is 2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid is CCS(=O)(=O)c1ccc(CC(=O)N(CCOC)CC(=O)O)cc1.
What is the InChIKey of 2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is SPNMGQJTZUGVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO6S/c1-3-23(20,21)13-6-4-12(5-7-13)10-14(17)16(8-9-22-2)11-15(18)19/h4-7H,3,8-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid?
2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 343.40 g/mol, XLogP of 0.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119189031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).