4-amino-5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid

C12H17N3O5S — CID 64896402

IUPAC4-amino-5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid
SMILESCNS(=O)(=O)c1ccccc1NC(=O)C(N)CCC(=O)O
InChIInChI=1S/C12H17N3O5S/c1-14-21(19,20)10-5-3-2-4-9(10)15-12(18)8(13)6-7-11(16)17/h2-5,8,14H,6-7,13H2,1H3,(H,15,18)(H,16,17)
InChIKeyDTDPHBZLEMPEBV-UHFFFAOYSA-N
MW315.35 g/mol
LogP-0.27
Rot. Bonds7

About 4-amino-5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid

4-amino-5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid (PubChem CID 64896402) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-amino-5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid
PubChem CID64896402
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name4-amino-5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid
SMILESCNS(=O)(=O)c1ccccc1NC(=O)C(N)CCC(=O)O
InChIInChI=1S/C12H17N3O5S/c1-14-21(19,20)10-5-3-2-4-9(10)15-12(18)8(13)6-7-11(16)17/h2-5,8,14H,6-7,13H2,1H3,(H,15,18)(H,16,17)
InChIKeyDTDPHBZLEMPEBV-UHFFFAOYSA-N
XLogP-0.27
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide
CID 61156317
5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid
CID 60940929
(2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide
CID 107568567
4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid
CID 79043536
2-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide
CID 107903498
2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid
CID 43696150
2-amino-N-(2-methylsulfonylphenyl)hexanamide
CID 54928189
4-amino-5-(2-hydroxy-5-methylsulfonylanilino)-5-oxopentanoic acid
CID 81423030
3-[2-(methylsulfamoyl)anilino]propanamide
CID 43553671
2-[[2-(methylsulfamoyl)anilino]methyl]butanoic acid
CID 65226875
4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid
CID 64894250
5-(4-acetamidoanilino)-4-amino-5-oxopentanoic acid
CID 64895797

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid (CID 64896402) is 4-amino-5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid is CNS(=O)(=O)c1ccccc1NC(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid?
The InChIKey is DTDPHBZLEMPEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-14-21(19,20)10-5-3-2-4-9(10)15-12(18)8(13)6-7-11(16)17/h2-5,8,14H,6-7,13H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid?
4-amino-5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid has a molecular weight of 315.35 g/mol, XLogP of -0.27, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid is sourced from PubChem (CID 64896402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).