N-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide

C10H16N4O3S — CID 78996204

IUPACN-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide
SMILESO=C(CCCNS(=O)(=O)c1cnc[nH]1)NC1CC1
InChIInChI=1S/C10H16N4O3S/c15-9(14-8-3-4-8)2-1-5-13-18(16,17)10-6-11-7-12-10/h6-8,13H,1-5H2,(H,11,12)(H,14,15)
InChIKeyJEVOEDJMYFBYAE-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.25
Rot. Bonds7

About N-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide

N-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide (PubChem CID 78996204) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide
PubChem CID78996204
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC NameN-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide
SMILESO=C(CCCNS(=O)(=O)c1cnc[nH]1)NC1CC1
InChIInChI=1S/C10H16N4O3S/c15-9(14-8-3-4-8)2-1-5-13-18(16,17)10-6-11-7-12-10/h6-8,13H,1-5H2,(H,11,12)(H,14,15)
InChIKeyJEVOEDJMYFBYAE-UHFFFAOYSA-N
XLogP-0.25
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-(1H-imidazol-5-ylmethylamino)butanamide
CID 78921180
N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide
CID 78954154
N-(4-bromobutyl)-1H-imidazole-5-sulfonamide
CID 106846730
N-(3-oxo-3-piperidin-1-ylpropyl)-1H-imidazole-5-sulfonamide
CID 115627036
N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide
CID 113414965
4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727913
4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide
CID 112732422
N-cyclopropyl-4-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]butanamide
CID 79381730
N-cyclopropyl-4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]butanamide
CID 79395251
4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79376745
4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79380052
4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 115329624

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide?
The IUPAC name of N-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide (CID 78996204) is N-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide?
The canonical SMILES for N-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide is O=C(CCCNS(=O)(=O)c1cnc[nH]1)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide?
The InChIKey is JEVOEDJMYFBYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c15-9(14-8-3-4-8)2-1-5-13-18(16,17)10-6-11-7-12-10/h6-8,13H,1-5H2,(H,11,12)(H,14,15).
What are the key properties of N-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide?
N-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide has a molecular weight of 272.33 g/mol, XLogP of -0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide is sourced from PubChem (CID 78996204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).