2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid

C12H16N2O5S — CID 61464585

IUPAC2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid
SMILESCNC(=O)C(C)NS(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C12H16N2O5S/c1-8(12(17)13-2)14-20(18,19)10-5-3-9(4-6-10)7-11(15)16/h3-6,8,14H,7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyIXFGSSKQJBMOGM-UHFFFAOYSA-N
MW300.34 g/mol
LogP-0.27
Rot. Bonds6

About 2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid

2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid (PubChem CID 61464585) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid
PubChem CID61464585
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid
SMILESCNC(=O)C(C)NS(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C12H16N2O5S/c1-8(12(17)13-2)14-20(18,19)10-5-3-9(4-6-10)7-11(15)16/h3-6,8,14H,7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyIXFGSSKQJBMOGM-UHFFFAOYSA-N
XLogP-0.27
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide
CID 61465790
2-[4-[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl]phenyl]acetic acid
CID 61245697
2-[4-[1-(methylamino)-1-oxopropan-2-yl]sulfinylphenyl]acetic acid
CID 64927402
2-[4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]phenyl]acetic acid
CID 81389151
2-[4-[[2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoyl]amino]phenyl]acetic acid
CID 54410070
2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid
CID 64568245
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
2-[4-(2-cyanopropylsulfamoyl)phenyl]acetic acid
CID 62668415
2-[4-(5-methylhexylsulfamoyl)phenyl]acetic acid
CID 115324996
2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid
CID 62694334
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid (CID 61464585) is 2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid is CNC(=O)C(C)NS(=O)(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid?
The InChIKey is IXFGSSKQJBMOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-8(12(17)13-2)14-20(18,19)10-5-3-9(4-6-10)7-11(15)16/h3-6,8,14H,7H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid?
2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid has a molecular weight of 300.34 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 61464585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).