N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide

C17H18N4OS — CID 9462806

IUPACN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1ccc2nccnc2c1)c1cccs1
InChIInChI=1S/C17H18N4OS/c1-21(2)15(16-4-3-9-23-16)11-20-17(22)12-5-6-13-14(10-12)19-8-7-18-13/h3-10,15H,11H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyPOZZHZJWTKMRSB-OAHLLOKOSA-N
MW326.43 g/mol
LogP2.72
Rot. Bonds5

About N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide (PubChem CID 9462806) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
PubChem CID9462806
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1ccc2nccnc2c1)c1cccs1
InChIInChI=1S/C17H18N4OS/c1-21(2)15(16-4-3-9-23-16)11-20-17(22)12-5-6-13-14(10-12)19-8-7-18-13/h3-10,15H,11H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyPOZZHZJWTKMRSB-OAHLLOKOSA-N
XLogP2.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide
CID 8504424
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide
CID 18161860
3-bromo-4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 103841422
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluoro-3-methylbenzamide
CID 63213496
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3-methoxypyrazin-2-yl)benzamide
CID 119070803
4-benzamido-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 42942787
4-benzamido-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 25466127
3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 134048537
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methanesulfonamido)benzamide
CID 51647882
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
CID 18161816
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxy-4-propoxybenzamide
CID 4876343
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 4827380

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide (CID 9462806) is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide is CN(C)[C@H](CNC(=O)c1ccc2nccnc2c1)c1cccs1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide?
The InChIKey is POZZHZJWTKMRSB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-21(2)15(16-4-3-9-23-16)11-20-17(22)12-5-6-13-14(10-12)19-8-7-18-13/h3-10,15H,11H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide?
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 9462806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).