N-[(3,7-dichloroquinoxalin-2-yl)methyl]-2-thiophen-2-ylacetamide

C15H11Cl2N3OS — CID 58475305

IUPACN-[(3,7-dichloroquinoxalin-2-yl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1nc2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C15H11Cl2N3OS/c16-9-3-4-11-12(6-9)19-13(15(17)20-11)8-18-14(21)7-10-2-1-5-22-10/h1-6H,7-8H2,(H,18,21)
InChIKeyKLFILYAFKGHRFS-UHFFFAOYSA-N
MW352.25 g/mol
LogP3.86
Rot. Bonds4

About N-[(3,7-dichloroquinoxalin-2-yl)methyl]-2-thiophen-2-ylacetamide

N-[(3,7-dichloroquinoxalin-2-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 58475305) has the molecular formula C15H11Cl2N3OS and a molecular weight of 352.25 g/mol. Its IUPAC name is N-[(3,7-dichloroquinoxalin-2-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3,7-dichloroquinoxalin-2-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID58475305
Molecular FormulaC15H11Cl2N3OS
Molecular Weight352.25 g/mol
Exact Mass351.00
IUPAC NameN-[(3,7-dichloroquinoxalin-2-yl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1nc2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C15H11Cl2N3OS/c16-9-3-4-11-12(6-9)19-13(15(17)20-11)8-18-14(21)7-10-2-1-5-22-10/h1-6H,7-8H2,(H,18,21)
InChIKeyKLFILYAFKGHRFS-UHFFFAOYSA-N
XLogP3.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 2801025
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-(2-chloroprop-2-enyl)-2-thiophen-2-ylacetamide
CID 115636481
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 47317277
2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 22588071
N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 95960121
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 110717409
2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 20867703
2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid
CID 81318404
4-[[[6-chloro-2-(thiophen-2-ylmethylamino)quinazolin-4-yl]amino]methyl]benzoic acid
CID 70037881

Frequently Asked Questions

What is the IUPAC name of N-[(3,7-dichloroquinoxalin-2-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3,7-dichloroquinoxalin-2-yl)methyl]-2-thiophen-2-ylacetamide (CID 58475305) is N-[(3,7-dichloroquinoxalin-2-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3,7-dichloroquinoxalin-2-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3,7-dichloroquinoxalin-2-yl)methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCc1nc2cc(Cl)ccc2nc1Cl.
What is the InChIKey of N-[(3,7-dichloroquinoxalin-2-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is KLFILYAFKGHRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3OS/c16-9-3-4-11-12(6-9)19-13(15(17)20-11)8-18-14(21)7-10-2-1-5-22-10/h1-6H,7-8H2,(H,18,21).
What are the key properties of N-[(3,7-dichloroquinoxalin-2-yl)methyl]-2-thiophen-2-ylacetamide?
N-[(3,7-dichloroquinoxalin-2-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 352.25 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,7-dichloroquinoxalin-2-yl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 58475305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).