N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide

C12H14N4O3S — CID 74240949

IUPACN-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1cccc2nccnc12
InChIInChI=1S/C12H14N4O3S/c1-20(18,19)16-8-7-15-12(17)9-3-2-4-10-11(9)14-6-5-13-10/h2-6,16H,7-8H2,1H3,(H,15,17)
InChIKeyLBXCOIFDMCUEAE-UHFFFAOYSA-N
MW294.34 g/mol
LogP-0.09
Rot. Bonds5

About N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide

N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide (PubChem CID 74240949) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide
PubChem CID74240949
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC NameN-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1cccc2nccnc12
InChIInChI=1S/C12H14N4O3S/c1-20(18,19)16-8-7-15-12(17)9-3-2-4-10-11(9)14-6-5-13-10/h2-6,16H,7-8H2,1H3,(H,15,17)
InChIKeyLBXCOIFDMCUEAE-UHFFFAOYSA-N
XLogP-0.09
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
2-(quinoxaline-5-carbonylamino)ethyl acetate
CID 150834987
N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide
CID 104615443
N-(3-chlorobutyl)quinoxaline-5-carboxamide
CID 104615743
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
N-pent-4-ynylquinoxaline-5-carboxamide
CID 113428882
N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide
CID 104580610
N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62168878
N-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide
CID 106245167
2-hydroxy-N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 43420679
2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 115540069
N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide
CID 110701354

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide (CID 74240949) is N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide is CS(=O)(=O)NCCNC(=O)c1cccc2nccnc12.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide?
The InChIKey is LBXCOIFDMCUEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-20(18,19)16-8-7-15-12(17)9-3-2-4-10-11(9)14-6-5-13-10/h2-6,16H,7-8H2,1H3,(H,15,17).
What are the key properties of N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide?
N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide has a molecular weight of 294.34 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 74240949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).