2-[methyl(2-phenylethyl)sulfamoyl]acetic acid

C11H15NO4S — CID 60951883

IUPAC2-[methyl(2-phenylethyl)sulfamoyl]acetic acid
SMILESCN(CCc1ccccc1)S(=O)(=O)CC(=O)O
InChIInChI=1S/C11H15NO4S/c1-12(17(15,16)9-11(13)14)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)
InChIKeyBLJXYEUBNTXECM-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.58
Rot. Bonds6

About 2-[methyl(2-phenylethyl)sulfamoyl]acetic acid

2-[methyl(2-phenylethyl)sulfamoyl]acetic acid (PubChem CID 60951883) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[methyl(2-phenylethyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[methyl(2-phenylethyl)sulfamoyl]acetic acid
PubChem CID60951883
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-[methyl(2-phenylethyl)sulfamoyl]acetic acid
SMILESCN(CCc1ccccc1)S(=O)(=O)CC(=O)O
InChIInChI=1S/C11H15NO4S/c1-12(17(15,16)9-11(13)14)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)
InChIKeyBLJXYEUBNTXECM-UHFFFAOYSA-N
XLogP0.58
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

fluoromethane;methyl(2-phenylethyl)sulfamic acid
CID 154691947
4-[methyl(2-phenylethylsulfonyl)amino]butanoic acid
CID 39385608
2-[methyl(phenyl)sulfamoyl]acetic acid
CID 28773465
4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61068586
methyl 3-[methyl(2-phenylethylsulfonyl)amino]propanoate
CID 54942207
2-[3-(dimethylamino)propyl-methylsulfamoyl]acetic acid
CID 63694307
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
3-[methylsulfonyl(2-phenylethyl)amino]propanoic acid
CID 82326336
2-[methyl(2-phenylethyl)amino]propanamide
CID 47280413
butanoic acid;N,N-dimethyl-2-phenylethanamine
CID 174426919
2-[(2R)-1-[methyl(2-phenylethyl)sulfamoyl]pyrrolidin-2-yl]acetic acid
CID 166267257
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-phenylethyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[methyl(2-phenylethyl)sulfamoyl]acetic acid (CID 60951883) is 2-[methyl(2-phenylethyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[methyl(2-phenylethyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[methyl(2-phenylethyl)sulfamoyl]acetic acid is CN(CCc1ccccc1)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[methyl(2-phenylethyl)sulfamoyl]acetic acid?
The InChIKey is BLJXYEUBNTXECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-12(17(15,16)9-11(13)14)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14).
What are the key properties of 2-[methyl(2-phenylethyl)sulfamoyl]acetic acid?
2-[methyl(2-phenylethyl)sulfamoyl]acetic acid has a molecular weight of 257.31 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-phenylethyl)sulfamoyl]acetic acid is sourced from PubChem (CID 60951883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).