N-[(2-fluorophenyl)carbamoyl]-2-quinoxalin-2-ylsulfanylacetamide

C17H13FN4O2S — CID 34906102

IUPACN-[(2-fluorophenyl)carbamoyl]-2-quinoxalin-2-ylsulfanylacetamide
SMILESO=C(CSc1cnc2ccccc2n1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C17H13FN4O2S/c18-11-5-1-2-6-12(11)21-17(24)22-15(23)10-25-16-9-19-13-7-3-4-8-14(13)20-16/h1-9H,10H2,(H2,21,22,23,24)
InChIKeyQCLPLEDAAWYHCX-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.21
Rot. Bonds4

About N-[(2-fluorophenyl)carbamoyl]-2-quinoxalin-2-ylsulfanylacetamide

N-[(2-fluorophenyl)carbamoyl]-2-quinoxalin-2-ylsulfanylacetamide (PubChem CID 34906102) has the molecular formula C17H13FN4O2S and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)carbamoyl]-2-quinoxalin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)carbamoyl]-2-quinoxalin-2-ylsulfanylacetamide
PubChem CID34906102
Molecular FormulaC17H13FN4O2S
Molecular Weight356.38 g/mol
Exact Mass356.07
IUPAC NameN-[(2-fluorophenyl)carbamoyl]-2-quinoxalin-2-ylsulfanylacetamide
SMILESO=C(CSc1cnc2ccccc2n1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C17H13FN4O2S/c18-11-5-1-2-6-12(11)21-17(24)22-15(23)10-25-16-9-19-13-7-3-4-8-14(13)20-16/h1-9H,10H2,(H2,21,22,23,24)
InChIKeyQCLPLEDAAWYHCX-UHFFFAOYSA-N
XLogP3.21
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(quinoxalin-2-ylsulfanyl)propyl]-1,3-dihydro-2H-benzimidazol-2-one
CID 663298
N,N-dimethyl-2-(2-quinoxalinylsulfanyl)acetamide
CID 3749686
3-{2-[(3-Methylquinoxalin-2-yl)sulfanyl]acetyl}-1-phenylurea
CID 35502062
3-Quinoxalin-5-yl-1-{3-[(trifluoromethyl)sulfanyl]phenyl}urea
CID 11394405
N-(4-Fluorophenyl)-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332536
N-(4-Fluorophenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332587
N-cyclopentyl-2-(quinoxalin-2-ylsulfanyl)acetamide
CID 2359872
N-[(3-fluoro-2-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 127043853
N-(benzylcarbamoyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 36470059
N-(ethylcarbamoyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 36470251
N-(cyclopropylcarbamoyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 36470979
N-[(2-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 36471097

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)carbamoyl]-2-quinoxalin-2-ylsulfanylacetamide?
The IUPAC name of N-[(2-fluorophenyl)carbamoyl]-2-quinoxalin-2-ylsulfanylacetamide (CID 34906102) is N-[(2-fluorophenyl)carbamoyl]-2-quinoxalin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(2-fluorophenyl)carbamoyl]-2-quinoxalin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(2-fluorophenyl)carbamoyl]-2-quinoxalin-2-ylsulfanylacetamide is O=C(CSc1cnc2ccccc2n1)NC(=O)Nc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)carbamoyl]-2-quinoxalin-2-ylsulfanylacetamide?
The InChIKey is QCLPLEDAAWYHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2S/c18-11-5-1-2-6-12(11)21-17(24)22-15(23)10-25-16-9-19-13-7-3-4-8-14(13)20-16/h1-9H,10H2,(H2,21,22,23,24).
What are the key properties of N-[(2-fluorophenyl)carbamoyl]-2-quinoxalin-2-ylsulfanylacetamide?
N-[(2-fluorophenyl)carbamoyl]-2-quinoxalin-2-ylsulfanylacetamide has a molecular weight of 356.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)carbamoyl]-2-quinoxalin-2-ylsulfanylacetamide is sourced from PubChem (CID 34906102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).