2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide

C21H23N3OS — CID 2079358

IUPAC2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1nc2ccccc2nc1CSCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C21H23N3OS/c1-14(2)16-8-10-17(11-9-16)23-21(25)13-26-12-20-15(3)22-18-6-4-5-7-19(18)24-20/h4-11,14H,12-13H2,1-3H3,(H,23,25)
InChIKeyQEUDDODWUYSSII-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.93
Rot. Bonds6

About 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide

2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 2079358) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID2079358
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1nc2ccccc2nc1CSCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C21H23N3OS/c1-14(2)16-8-10-17(11-9-16)23-21(25)13-26-12-20-15(3)22-18-6-4-5-7-19(18)24-20/h4-11,14H,12-13H2,1-3H3,(H,23,25)
InChIKeyQEUDDODWUYSSII-UHFFFAOYSA-N
XLogP4.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 875299
2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 46357715
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 43392397
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 100523985
N-(4-propan-2-ylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
CID 22332533
2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 8970959
2-(cyanomethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 47166085
N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 3361602
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 53366366
2-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 52736699
1-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea
CID 17373026

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide (CID 2079358) is 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide is Cc1nc2ccccc2nc1CSCC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is QEUDDODWUYSSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-14(2)16-8-10-17(11-9-16)23-21(25)13-26-12-20-15(3)22-18-6-4-5-7-19(18)24-20/h4-11,14H,12-13H2,1-3H3,(H,23,25).
What are the key properties of 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide?
2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 365.50 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 2079358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).