2-[2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid

C14H20N2O6S — CID 119353239

IUPAC2-[2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid
SMILESCCOCCS(=O)(=O)NCC(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C14H20N2O6S/c1-2-22-7-8-23(20,21)15-10-13(17)16-12-6-4-3-5-11(12)9-14(18)19/h3-6,15H,2,7-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyPJJLSKUMKWXBLK-UHFFFAOYSA-N
MW344.39 g/mol
LogP0.21
Rot. Bonds10

About 2-[2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid

2-[2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid (PubChem CID 119353239) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid
PubChem CID119353239
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Name2-[2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid
SMILESCCOCCS(=O)(=O)NCC(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C14H20N2O6S/c1-2-22-7-8-23(20,21)15-10-13(17)16-12-6-4-3-5-11(12)9-14(18)19/h3-6,15H,2,7-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyPJJLSKUMKWXBLK-UHFFFAOYSA-N
XLogP0.21
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide
CID 119421695
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide
CID 63246620
N-(2-ethylphenyl)-2-(methanesulfonamido)acetamide
CID 47013160
2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide
CID 119438596
2-[2-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]phenyl]acetic acid
CID 119353088
2-[2-(3-methoxypropanoylamino)phenyl]acetic acid
CID 55091248
N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride
CID 120567612
2-[(2,5-dimethylphenyl)methylsulfonylamino]-N-(2-ethylphenyl)acetamide
CID 22300215
2-[2-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetic acid
CID 79271614
3-(2-ethoxyethylsulfonylamino)propanoic acid
CID 63245952
2-(butylsulfonylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 112999026
N-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 112998607

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid (CID 119353239) is 2-[2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid is CCOCCS(=O)(=O)NCC(=O)Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid?
The InChIKey is PJJLSKUMKWXBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-2-22-7-8-23(20,21)15-10-13(17)16-12-6-4-3-5-11(12)9-14(18)19/h3-6,15H,2,7-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid?
2-[2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid has a molecular weight of 344.39 g/mol, XLogP of 0.21, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119353239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).