2-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]acetic acid

C15H22N2O5S — CID 119192737

IUPAC2-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H22N2O5S/c1-12(2)9-17(11-15(19)20)14(18)10-16(3)23(21,22)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,19,20)
InChIKeyIVSDGTCGENGXKG-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.88
Rot. Bonds8

About 2-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]acetic acid

2-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 119192737) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]acetic acid
PubChem CID119192737
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H22N2O5S/c1-12(2)9-17(11-15(19)20)14(18)10-16(3)23(21,22)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,19,20)
InChIKeyIVSDGTCGENGXKG-UHFFFAOYSA-N
XLogP0.88
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190065
2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78767125
4-[[2-[benzenesulfonyl(methyl)amino]acetyl]-methylamino]butanoic acid
CID 119136438
2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid
CID 90148129
2-[3-(2-methylphenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 63064470
N-(2-methylprop-2-enyl)-N-(2-methylpropyl)benzenesulfonamide
CID 162407437
methyl 3-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]-(2-methylpropyl)amino]propanoate
CID 55819970
2-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic acid
CID 62034091
1-(benzenesulfonyl)-1-(2-methylpropyl)urea
CID 154208378
4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271840
N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 27001178
2-[benzenesulfonyl(methyl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 55623064

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]acetic acid (CID 119192737) is 2-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)CN(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is IVSDGTCGENGXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-12(2)9-17(11-15(19)20)14(18)10-16(3)23(21,22)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]acetic acid?
2-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 342.42 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119192737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).