2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid

C12H16N2O6S — CID 61329012

IUPAC2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)COCC(=O)O)cc1
InChIInChI=1S/C12H16N2O6S/c1-2-21(18,19)14-10-5-3-9(4-6-10)13-11(15)7-20-8-12(16)17/h3-6,14H,2,7-8H2,1H3,(H,13,15)(H,16,17)
InChIKeyQYPRQJAMNCZVED-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.49
Rot. Bonds8

About 2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid

2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid (PubChem CID 61329012) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid
PubChem CID61329012
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)COCC(=O)O)cc1
InChIInChI=1S/C12H16N2O6S/c1-2-21(18,19)14-10-5-3-9(4-6-10)13-11(15)7-20-8-12(16)17/h3-6,14H,2,7-8H2,1H3,(H,13,15)(H,16,17)
InChIKeyQYPRQJAMNCZVED-UHFFFAOYSA-N
XLogP0.49
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid
CID 61327264
2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide
CID 63679707
N-[4-(ethylsulfonylamino)phenyl]-2-(methylamino)acetamide
CID 54863090
2-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]acetic acid
CID 60708142
3-bromo-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 113385211
2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 61329211
2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid
CID 60662033
2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]acetic acid
CID 2811968
N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79272393
6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide
CID 60944515
2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide
CID 60945147
2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328874

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid (CID 61329012) is 2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid is CCS(=O)(=O)Nc1ccc(NC(=O)COCC(=O)O)cc1.
What is the InChIKey of 2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid?
The InChIKey is QYPRQJAMNCZVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-2-21(18,19)14-10-5-3-9(4-6-10)13-11(15)7-20-8-12(16)17/h3-6,14H,2,7-8H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid?
2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid has a molecular weight of 316.34 g/mol, XLogP of 0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).