N-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide

C19H25N3O2S — CID 50781489

IUPACN-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
SMILESCCn1c(=O)c(SCC(=O)NC2CCCCCC2)nc2ccccc21
InChIInChI=1S/C19H25N3O2S/c1-2-22-16-12-8-7-11-15(16)21-18(19(22)24)25-13-17(23)20-14-9-5-3-4-6-10-14/h7-8,11-12,14H,2-6,9-10,13H2,1H3,(H,20,23)
InChIKeyVAHKFQLEOYBGDU-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.35
Rot. Bonds5

About N-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide

N-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide (PubChem CID 50781489) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
PubChem CID50781489
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
SMILESCCn1c(=O)c(SCC(=O)NC2CCCCCC2)nc2ccccc21
InChIInChI=1S/C19H25N3O2S/c1-2-22-16-12-8-7-11-15(16)21-18(19(22)24)25-13-17(23)20-14-9-5-3-4-6-10-14/h7-8,11-12,14H,2-6,9-10,13H2,1H3,(H,20,23)
InChIKeyVAHKFQLEOYBGDU-UHFFFAOYSA-N
XLogP3.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 50781324
N-cyclopentyl-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide
CID 46325052
N-[(2S)-butan-2-yl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 92889336
2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 50780952
2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N,N-dimethylacetamide
CID 654945
N-cyclohexyl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028657
2-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide
CID 24793357
N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide
CID 860331
N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 46324939
(3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 30454576
N-cyclopentyl-2-[2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 3224649
2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 50781668

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide (CID 50781489) is N-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide is CCn1c(=O)c(SCC(=O)NC2CCCCCC2)nc2ccccc21.
What is the InChIKey of N-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is VAHKFQLEOYBGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-2-22-16-12-8-7-11-15(16)21-18(19(22)24)25-13-17(23)20-14-9-5-3-4-6-10-14/h7-8,11-12,14H,2-6,9-10,13H2,1H3,(H,20,23).
What are the key properties of N-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide?
N-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 359.50 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 50781489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).