2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid

C17H25N3O6S — CID 119223365

IUPAC2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C(=O)O
InChIInChI=1S/C17H25N3O6S/c1-4-14(17(22)23)18-16(21)13-11-12(27(24,25)19(2)3)5-6-15(13)20-7-9-26-10-8-20/h5-6,11,14H,4,7-10H2,1-3H3,(H,18,21)(H,22,23)
InChIKeyMAHHLVOQHJMMPK-UHFFFAOYSA-N
MW399.47 g/mol
LogP0.37
Rot. Bonds7

About 2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid

2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid (PubChem CID 119223365) has the molecular formula C17H25N3O6S and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid
PubChem CID119223365
Molecular FormulaC17H25N3O6S
Molecular Weight399.47 g/mol
Exact Mass399.15
IUPAC Name2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C(=O)O
InChIInChI=1S/C17H25N3O6S/c1-4-14(17(22)23)18-16(21)13-11-12(27(24,25)19(2)3)5-6-15(13)20-7-9-26-10-8-20/h5-6,11,14H,4,7-10H2,1-3H3,(H,18,21)(H,22,23)
InChIKeyMAHHLVOQHJMMPK-UHFFFAOYSA-N
XLogP0.37
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid
CID 119223258
5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride
CID 119505395
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 7883894
ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate
CID 56557592
N-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 46588089
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55333895
N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8743757
N-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 55582883
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55536639
N-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 55669437
N-(2,3-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8714248

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid (CID 119223365) is 2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid is CCC(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C(=O)O.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid?
The InChIKey is MAHHLVOQHJMMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O6S/c1-4-14(17(22)23)18-16(21)13-11-12(27(24,25)19(2)3)5-6-15(13)20-7-9-26-10-8-20/h5-6,11,14H,4,7-10H2,1-3H3,(H,18,21)(H,22,23).
What are the key properties of 2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid?
2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid has a molecular weight of 399.47 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid is sourced from PubChem (CID 119223365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).