2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide

C11H20N4O4S — CID 119501278

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)C(C)NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C11H20N4O4S/c1-7-10(9(3)19-14-7)20(17,18)15-8(2)11(16)13-6-5-12-4/h8,12,15H,5-6H2,1-4H3,(H,13,16)
InChIKeyXJQWLWPSYRSMMT-UHFFFAOYSA-N
MW304.37 g/mol
LogP-0.71
Rot. Bonds7

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide (PubChem CID 119501278) has the molecular formula C11H20N4O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide
PubChem CID119501278
Molecular FormulaC11H20N4O4S
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)C(C)NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C11H20N4O4S/c1-7-10(9(3)19-14-7)20(17,18)15-8(2)11(16)13-6-5-12-4/h8,12,15H,5-6H2,1-4H3,(H,13,16)
InChIKeyXJQWLWPSYRSMMT-UHFFFAOYSA-N
XLogP-0.71
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid
CID 119243729
2-[2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]ethylsulfanyl]acetic acid
CID 119241417
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 51925027
(2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 39996838
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 55937487
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide
CID 55941738
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 79027700
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461302
N-[1-(aminomethyl)cyclopentyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 119565976
(2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 55937481
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 110408001

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide (CID 119501278) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide is CNCCNC(=O)C(C)NS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide?
The InChIKey is XJQWLWPSYRSMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S/c1-7-10(9(3)19-14-7)20(17,18)15-8(2)11(16)13-6-5-12-4/h8,12,15H,5-6H2,1-4H3,(H,13,16).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide has a molecular weight of 304.37 g/mol, XLogP of -0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide is sourced from PubChem (CID 119501278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).