2-[3-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid

C15H22N2O6S — CID 119352057

IUPAC2-[3-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid
SMILESCC(C)OCCS(=O)(=O)NCC(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C15H22N2O6S/c1-11(2)23-6-7-24(21,22)16-10-14(18)17-13-5-3-4-12(8-13)9-15(19)20/h3-5,8,11,16H,6-7,9-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyMLVIVLALDLSEOX-UHFFFAOYSA-N
MW358.42 g/mol
LogP0.60
Rot. Bonds10

About 2-[3-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid

2-[3-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid (PubChem CID 119352057) has the molecular formula C15H22N2O6S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[3-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid
PubChem CID119352057
Molecular FormulaC15H22N2O6S
Molecular Weight358.42 g/mol
Exact Mass358.12
IUPAC Name2-[3-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid
SMILESCC(C)OCCS(=O)(=O)NCC(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C15H22N2O6S/c1-11(2)23-6-7-24(21,22)16-10-14(18)17-13-5-3-4-12(8-13)9-15(19)20/h3-5,8,11,16H,6-7,9-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyMLVIVLALDLSEOX-UHFFFAOYSA-N
XLogP0.60
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-propan-2-yloxybutanoylamino)phenyl]acetic acid
CID 120688421
4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]benzoic acid
CID 119177738
2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide
CID 119438596
2-[3-(3-aminobutanoylamino)phenyl]acetic acid
CID 65349953
N-(6-amino-3-pyridinyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride
CID 119515101
(2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid
CID 119238322
N-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide
CID 86861957
2-methyl-2-[4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]pyrazol-1-yl]propanoic acid
CID 120696279
2-[3-[(4-amino-3-methylbutanoyl)amino]phenyl]acetic acid
CID 81080665
2-[3-(2-butoxypropanoylamino)phenyl]acetic acid
CID 119351585
N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride
CID 119527625
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid (CID 119352057) is 2-[3-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid is CC(C)OCCS(=O)(=O)NCC(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid?
The InChIKey is MLVIVLALDLSEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S/c1-11(2)23-6-7-24(21,22)16-10-14(18)17-13-5-3-4-12(8-13)9-15(19)20/h3-5,8,11,16H,6-7,9-10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[3-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid?
2-[3-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid has a molecular weight of 358.42 g/mol, XLogP of 0.60, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119352057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).