N-[methyl(phenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

C19H18N4O2S — CID 118418581

IUPACN-[methyl(phenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1nc2ccccc2nc1SCC(=O)NC(=O)N(C)c1ccccc1
InChIInChI=1S/C19H18N4O2S/c1-13-18(21-16-11-7-6-10-15(16)20-13)26-12-17(24)22-19(25)23(2)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,22,24,25)
InChIKeyPQLJOSMBCZOJIK-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.40
Rot. Bonds4

About N-[methyl(phenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

N-[methyl(phenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 118418581) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[methyl(phenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[methyl(phenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
PubChem CID118418581
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-[methyl(phenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1nc2ccccc2nc1SCC(=O)NC(=O)N(C)c1ccccc1
InChIInChI=1S/C19H18N4O2S/c1-13-18(21-16-11-7-6-10-15(16)20-13)26-12-17(24)22-19(25)23(2)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,22,24,25)
InChIKeyPQLJOSMBCZOJIK-UHFFFAOYSA-N
XLogP3.40
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
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
1-(4-Methyl-1-piperidinyl)-2-[(3-methyl-2-quinoxalinyl)thio]ethanone
CID 935829
3-{2-[(3-Methylquinoxalin-2-yl)sulfanyl]acetyl}-1-phenylurea
CID 35502062
2-[3-(2-Amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide
CID 612552
N-[4-(acetylamino)phenyl]-2-{[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]thio}acetamide
CID 15991457
N-Butyl-N-methyl-2-({3-[(4-methylphenyl)methyl]quinoxalin-2-YL}sulfanyl)acetamide
CID 16030275
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
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

Frequently Asked Questions

What is the IUPAC name of N-[methyl(phenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-[methyl(phenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (CID 118418581) is N-[methyl(phenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[methyl(phenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[methyl(phenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is Cc1nc2ccccc2nc1SCC(=O)NC(=O)N(C)c1ccccc1.
What is the InChIKey of N-[methyl(phenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is PQLJOSMBCZOJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-13-18(21-16-11-7-6-10-15(16)20-13)26-12-17(24)22-19(25)23(2)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,22,24,25).
What are the key properties of N-[methyl(phenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
N-[methyl(phenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 366.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl(phenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 118418581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).