N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

C18H15FN4O2S — CID 118418605

IUPACN-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H15FN4O2S/c1-11-17(22-15-5-3-2-4-14(15)20-11)26-10-16(24)23-18(25)21-13-8-6-12(19)7-9-13/h2-9H,10H2,1H3,(H2,21,23,24,25)
InChIKeyNISVTWVGBZSVRX-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.52
Rot. Bonds4

About N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 118418605) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
PubChem CID118418605
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC NameN-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H15FN4O2S/c1-11-17(22-15-5-3-2-4-14(15)20-11)26-10-16(24)23-18(25)21-13-8-6-12(19)7-9-13/h2-9H,10H2,1H3,(H2,21,23,24,25)
InChIKeyNISVTWVGBZSVRX-UHFFFAOYSA-N
XLogP3.52
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide
CID 118418598
N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 3361602
N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfonylacetamide
CID 127043320
N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 46357614
N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide
CID 7145882
2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 46357715
2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide
CID 12840972
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 4218299
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 35501492
N-[1-(4-bromophenyl)ethyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 43055140
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (CID 118418605) is N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is NISVTWVGBZSVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c1-11-17(22-15-5-3-2-4-14(15)20-11)26-10-16(24)23-18(25)21-13-8-6-12(19)7-9-13/h2-9H,10H2,1H3,(H2,21,23,24,25).
What are the key properties of N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 370.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 118418605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).