2,3-dimethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]quinoxaline-6-carboxamide

C17H18N4O3S2 — CID 108573350

IUPAC2,3-dimethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCCNS(=O)(=O)c3cccs3)cc2nc1C
InChIInChI=1S/C17H18N4O3S2/c1-11-12(2)21-15-10-13(5-6-14(15)20-11)17(22)18-7-8-19-26(23,24)16-4-3-9-25-16/h3-6,9-10,19H,7-8H2,1-2H3,(H,18,22)
InChIKeyUSCNDTCKYKALBY-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.02
Rot. Bonds6

About 2,3-dimethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]quinoxaline-6-carboxamide

2,3-dimethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]quinoxaline-6-carboxamide (PubChem CID 108573350) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]quinoxaline-6-carboxamide
PubChem CID108573350
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC Name2,3-dimethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCCNS(=O)(=O)c3cccs3)cc2nc1C
InChIInChI=1S/C17H18N4O3S2/c1-11-12(2)21-15-10-13(5-6-14(15)20-11)17(22)18-7-8-19-26(23,24)16-4-3-9-25-16/h3-6,9-10,19H,7-8H2,1-2H3,(H,18,22)
InChIKeyUSCNDTCKYKALBY-UHFFFAOYSA-N
XLogP2.02
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide
CID 71912305
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108573316
2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide
CID 108542144
tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate
CID 47454485
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 24560136
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 110661566
2-iodo-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide
CID 108571250
N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4062520
N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51232739
2-(2-methoxyethoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 108574842
N,2,3-trimethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 51205761
2-[(2,3-dithiophen-2-ylquinoxaline-6-carbonyl)amino]ethyl-dimethylazanium
CID 3713317

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]quinoxaline-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]quinoxaline-6-carboxamide (CID 108573350) is 2,3-dimethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]quinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NCCNS(=O)(=O)c3cccs3)cc2nc1C.
What is the InChIKey of 2,3-dimethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]quinoxaline-6-carboxamide?
The InChIKey is USCNDTCKYKALBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c1-11-12(2)21-15-10-13(5-6-14(15)20-11)17(22)18-7-8-19-26(23,24)16-4-3-9-25-16/h3-6,9-10,19H,7-8H2,1-2H3,(H,18,22).
What are the key properties of 2,3-dimethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]quinoxaline-6-carboxamide?
2,3-dimethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]quinoxaline-6-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 108573350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).