N-[(3-fluoro-2-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

C19H17FN4O2S — CID 127043853

IUPACN-[(3-fluoro-2-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1cccc(F)c1C
InChIInChI=1S/C19H17FN4O2S/c1-11-13(20)6-5-9-14(11)23-19(26)24-17(25)10-27-18-12(2)21-15-7-3-4-8-16(15)22-18/h3-9H,10H2,1-2H3,(H2,23,24,25,26)
InChIKeyUCNVLWAPQHQQKO-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.83
Rot. Bonds4

About N-[(3-fluoro-2-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

N-[(3-fluoro-2-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 127043853) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[(3-fluoro-2-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(3-fluoro-2-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
PubChem CID127043853
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC NameN-[(3-fluoro-2-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1cccc(F)c1C
InChIInChI=1S/C19H17FN4O2S/c1-11-13(20)6-5-9-14(11)23-19(26)24-17(25)10-27-18-12(2)21-15-7-3-4-8-16(15)22-18/h3-9H,10H2,1-2H3,(H2,23,24,25,26)
InChIKeyUCNVLWAPQHQQKO-UHFFFAOYSA-N
XLogP3.83
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-{2-[(3-Methylquinoxalin-2-yl)sulfanyl]acetyl}-1-phenylurea
CID 35502062
N-(4-fluorophenyl)-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide
CID 4880236
2-({3-[(2-Fluorophenyl)methyl]quinoxalin-2-YL}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 15987629
N-(3-Fluoro-4-methylphenyl)-2-({3-[(2-fluorophenyl)methyl]quinoxalin-2-YL}sulfanyl)acetamide
CID 15987639
N-(3-Methylbutyl)-2-({3-[(4-methylphenyl)methyl]quinoxalin-2-YL}sulfanyl)acetamide
CID 16030403
N-[(4-Methylphenyl)methyl]-2-({3-[(4-methylphenyl)methyl]quinoxalin-2-YL}sulfanyl)acetamide
CID 16030423
2-[(3-Benzylquinoxalin-2-YL)sulfanyl]-N-butylacetamide
CID 16030461
2-[(3-Benzylquinoxalin-2-YL)sulfanyl]-N-(3-methylbutyl)acetamide
CID 16030485
2-[(3-Benzylquinoxalin-2-YL)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 16030497
2-[(3-Benzylquinoxalin-2-YL)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 16030499
N-(3-Methylphenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 16956475
N-(4-Methylphenyl)-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332560

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(3-fluoro-2-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (CID 127043853) is N-[(3-fluoro-2-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(3-fluoro-2-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(3-fluoro-2-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1cccc(F)c1C.
What is the InChIKey of N-[(3-fluoro-2-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is UCNVLWAPQHQQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c1-11-13(20)6-5-9-14(11)23-19(26)24-17(25)10-27-18-12(2)21-15-7-3-4-8-16(15)22-18/h3-9H,10H2,1-2H3,(H2,23,24,25,26).
What are the key properties of N-[(3-fluoro-2-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
N-[(3-fluoro-2-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 384.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 127043853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).