N-cyclohexyl-N-ethyl-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

C19H25N3OS — CID 2373663

IUPACN-cyclohexyl-N-ethyl-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCCN(C(=O)CSc1nc2ccccc2nc1C)C1CCCCC1
InChIInChI=1S/C19H25N3OS/c1-3-22(15-9-5-4-6-10-15)18(23)13-24-19-14(2)20-16-11-7-8-12-17(16)21-19/h7-8,11-12,15H,3-6,9-10,13H2,1-2H3
InChIKeyPIWZJEYXOSUXEO-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.21
Rot. Bonds5

About N-cyclohexyl-N-ethyl-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

N-cyclohexyl-N-ethyl-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 2373663) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
PubChem CID2373663
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-cyclohexyl-N-ethyl-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCCN(C(=O)CSc1nc2ccccc2nc1C)C1CCCCC1
InChIInChI=1S/C19H25N3OS/c1-3-22(15-9-5-4-6-10-15)18(23)13-24-19-14(2)20-16-11-7-8-12-17(16)21-19/h7-8,11-12,15H,3-6,9-10,13H2,1-2H3
InChIKeyPIWZJEYXOSUXEO-UHFFFAOYSA-N
XLogP4.21
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (CID 2373663) is N-cyclohexyl-N-ethyl-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is CCN(C(=O)CSc1nc2ccccc2nc1C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is PIWZJEYXOSUXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-3-22(15-9-5-4-6-10-15)18(23)13-24-19-14(2)20-16-11-7-8-12-17(16)21-19/h7-8,11-12,15H,3-6,9-10,13H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
N-cyclohexyl-N-ethyl-2-(3-methylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 343.50 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2373663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).