2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid

C18H20N2O6S — CID 4839549

IUPAC2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCC(=O)O)cc2)cc1
InChIInChI=1S/C18H20N2O6S/c1-13-3-9-16(10-4-13)27(24,25)20(2)14-5-7-15(8-6-14)26-12-17(21)19-11-18(22)23/h3-10H,11-12H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyGNNPBBXHVSZYAT-UHFFFAOYSA-N
MW392.43 g/mol
LogP1.40
Rot. Bonds8

About 2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid

2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid (PubChem CID 4839549) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid
PubChem CID4839549
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCC(=O)O)cc2)cc1
InChIInChI=1S/C18H20N2O6S/c1-13-3-9-16(10-4-13)27(24,25)20(2)14-5-7-15(8-6-14)26-12-17(21)19-11-18(22)23/h3-10H,11-12H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyGNNPBBXHVSZYAT-UHFFFAOYSA-N
XLogP1.40
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247189
N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 32743662
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 55335445
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 41179929
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 112775706
N,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide
CID 24542946
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
CID 17247012
N-(4-ethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247226
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 17247227
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-hydroxyethyl)acetamide
CID 92649083
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-morpholin-4-ylethyl)acetamide
CID 17247264
N-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 42989070

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid (CID 4839549) is 2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid is Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCC(=O)O)cc2)cc1.
What is the InChIKey of 2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid?
The InChIKey is GNNPBBXHVSZYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-13-3-9-16(10-4-13)27(24,25)20(2)14-5-7-15(8-6-14)26-12-17(21)19-11-18(22)23/h3-10H,11-12H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid?
2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid has a molecular weight of 392.43 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid is sourced from PubChem (CID 4839549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).