2-[4-[(2-amino-2-oxoethyl)-methylsulfamoyl]phenyl]acetic acid

C11H14N2O5S — CID 43440524

IUPAC2-[4-[(2-amino-2-oxoethyl)-methylsulfamoyl]phenyl]acetic acid
SMILESCN(CC(N)=O)S(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H14N2O5S/c1-13(7-10(12)14)19(17,18)9-4-2-8(3-5-9)6-11(15)16/h2-5H,6-7H2,1H3,(H2,12,14)(H,15,16)
InChIKeyPCOVHJFPDSCIJU-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.58
Rot. Bonds6

About 2-[4-[(2-amino-2-oxoethyl)-methylsulfamoyl]phenyl]acetic acid

2-[4-[(2-amino-2-oxoethyl)-methylsulfamoyl]phenyl]acetic acid (PubChem CID 43440524) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[4-[(2-amino-2-oxoethyl)-methylsulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-amino-2-oxoethyl)-methylsulfamoyl]phenyl]acetic acid
PubChem CID43440524
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name2-[4-[(2-amino-2-oxoethyl)-methylsulfamoyl]phenyl]acetic acid
SMILESCN(CC(N)=O)S(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H14N2O5S/c1-13(7-10(12)14)19(17,18)9-4-2-8(3-5-9)6-11(15)16/h2-5H,6-7H2,1H3,(H2,12,14)(H,15,16)
InChIKeyPCOVHJFPDSCIJU-UHFFFAOYSA-N
XLogP-0.58
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(dimethylamino)propyl-methylsulfamoyl]phenyl]acetic acid
CID 63694485
2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]acetamide
CID 154513801
2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
CID 43440325
2-[4-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]phenyl]acetic acid
CID 115985580
2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 977503
2-[[4-(2-amino-2-sulfanylideneethyl)phenyl]sulfonyl-methylamino]-N-ethylacetamide
CID 79186376
2-[4-[ethyl(methyl)sulfamoyl]phenyl]ethanethioamide
CID 79186028
2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide
CID 43374208
2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid
CID 43440509
2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid
CID 90148129
2-(4-sulfophenyl)acetic acid
CID 5205069
2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid
CID 113224421

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-2-oxoethyl)-methylsulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-amino-2-oxoethyl)-methylsulfamoyl]phenyl]acetic acid (CID 43440524) is 2-[4-[(2-amino-2-oxoethyl)-methylsulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-amino-2-oxoethyl)-methylsulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-amino-2-oxoethyl)-methylsulfamoyl]phenyl]acetic acid is CN(CC(N)=O)S(=O)(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-amino-2-oxoethyl)-methylsulfamoyl]phenyl]acetic acid?
The InChIKey is PCOVHJFPDSCIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-13(7-10(12)14)19(17,18)9-4-2-8(3-5-9)6-11(15)16/h2-5H,6-7H2,1H3,(H2,12,14)(H,15,16).
What are the key properties of 2-[4-[(2-amino-2-oxoethyl)-methylsulfamoyl]phenyl]acetic acid?
2-[4-[(2-amino-2-oxoethyl)-methylsulfamoyl]phenyl]acetic acid has a molecular weight of 286.31 g/mol, XLogP of -0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-2-oxoethyl)-methylsulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 43440524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).