4-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoylamino]butanoic acid

C14H22N4O5S — CID 122090456

IUPAC4-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoylamino]butanoic acid
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)NCCCC(=O)O)nc1
InChIInChI=1S/C14H22N4O5S/c1-14(2,3)18-24(22,23)10-6-7-11(16-9-10)17-13(21)15-8-4-5-12(19)20/h6-7,9,18H,4-5,8H2,1-3H3,(H,19,20)(H2,15,16,17,21)
InChIKeyMEGAQANOXGJLHE-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.14
Rot. Bonds7

About 4-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoylamino]butanoic acid

4-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoylamino]butanoic acid (PubChem CID 122090456) has the molecular formula C14H22N4O5S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoylamino]butanoic acid
PubChem CID122090456
Molecular FormulaC14H22N4O5S
Molecular Weight358.42 g/mol
Exact Mass358.13
IUPAC Name4-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoylamino]butanoic acid
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)NCCCC(=O)O)nc1
InChIInChI=1S/C14H22N4O5S/c1-14(2,3)18-24(22,23)10-6-7-11(16-9-10)17-13(21)15-8-4-5-12(19)20/h6-7,9,18H,4-5,8H2,1-3H3,(H,19,20)(H2,15,16,17,21)
InChIKeyMEGAQANOXGJLHE-UHFFFAOYSA-N
XLogP1.14
TPSA137.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid
CID 119219755
(2S)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methylsulfanylbutanamide
CID 124882199
(2R)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methyl-3-methylsulfanylpropanamide
CID 124882355
4-[[5-(difluoromethoxy)-2-pyridinyl]carbamoylamino]butanoic acid
CID 122094152
N-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide
CID 98018239
N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide
CID 154779474
1-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 122090461
1-[5-(aminomethyl)-2-pyridinyl]-3-butylurea
CID 62354751
4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoylamino]butanoic acid
CID 122089424
N-tert-butyl-6-[(3-fluoro-4-methylphenyl)methylamino]pyridine-3-sulfonamide
CID 112806919
4-[[4-(tert-butylcarbamoyl)phenyl]carbamoylamino]butanoic acid
CID 122075360
4-(tert-butylcarbamoylamino)butanoic acid
CID 2185486

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoylamino]butanoic acid?
The IUPAC name of 4-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoylamino]butanoic acid (CID 122090456) is 4-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoylamino]butanoic acid?
The canonical SMILES for 4-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoylamino]butanoic acid is CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)NCCCC(=O)O)nc1.
What is the InChIKey of 4-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoylamino]butanoic acid?
The InChIKey is MEGAQANOXGJLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O5S/c1-14(2,3)18-24(22,23)10-6-7-11(16-9-10)17-13(21)15-8-4-5-12(19)20/h6-7,9,18H,4-5,8H2,1-3H3,(H,19,20)(H2,15,16,17,21).
What are the key properties of 4-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoylamino]butanoic acid?
4-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoylamino]butanoic acid has a molecular weight of 358.42 g/mol, XLogP of 1.14, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoylamino]butanoic acid is sourced from PubChem (CID 122090456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).