N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide

C18H21N5O4S — CID 108573316

IUPACN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCCNS(=O)(=O)c3c(C)noc3C)cc2nc1C
InChIInChI=1S/C18H21N5O4S/c1-10-11(2)22-16-9-14(5-6-15(16)21-10)18(24)19-7-8-20-28(25,26)17-12(3)23-27-13(17)4/h5-6,9,20H,7-8H2,1-4H3,(H,19,24)
InChIKeyMJVBVCVLUXPHDF-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.56
Rot. Bonds6

About N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide

N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 108573316) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID108573316
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC NameN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCCNS(=O)(=O)c3c(C)noc3C)cc2nc1C
InChIInChI=1S/C18H21N5O4S/c1-10-11(2)22-16-9-14(5-6-15(16)21-10)18(24)19-7-8-20-28(25,26)17-12(3)23-27-13(17)4/h5-6,9,20H,7-8H2,1-4H3,(H,19,24)
InChIKeyMJVBVCVLUXPHDF-UHFFFAOYSA-N
XLogP1.56
TPSA127.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-4-methylbenzamide
CID 108570686
4-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]benzamide
CID 108571321
3-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]benzamide
CID 108571403
2,3-dimethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]quinoxaline-6-carboxamide
CID 108573350
5-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]furan-2-carboxamide
CID 108571899
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide
CID 108571226
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574106
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108571064
2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide
CID 108542144
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide
CID 108574145
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide
CID 9330058
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 24560136

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide (CID 108573316) is N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NCCNS(=O)(=O)c3c(C)noc3C)cc2nc1C.
What is the InChIKey of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is MJVBVCVLUXPHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-10-11(2)22-16-9-14(5-6-15(16)21-10)18(24)19-7-8-20-28(25,26)17-12(3)23-27-13(17)4/h5-6,9,20H,7-8H2,1-4H3,(H,19,24).
What are the key properties of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 108573316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).