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

C15H17N3O2S — CID 50781324

IUPACN-cyclopropyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
SMILESCCn1c(=O)c(SCC(=O)NC2CC2)nc2ccccc21
InChIInChI=1S/C15H17N3O2S/c1-2-18-12-6-4-3-5-11(12)17-14(15(18)20)21-9-13(19)16-10-7-8-10/h3-6,10H,2,7-9H2,1H3,(H,16,19)
InChIKeySMPKITQIAZPYJK-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.79
Rot. Bonds5

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

N-cyclopropyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide (PubChem CID 50781324) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
PubChem CID50781324
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-cyclopropyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
SMILESCCn1c(=O)c(SCC(=O)NC2CC2)nc2ccccc21
InChIInChI=1S/C15H17N3O2S/c1-2-18-12-6-4-3-5-11(12)17-14(15(18)20)21-9-13(19)16-10-7-8-10/h3-6,10H,2,7-9H2,1H3,(H,16,19)
InChIKeySMPKITQIAZPYJK-UHFFFAOYSA-N
XLogP1.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 50781489
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
N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 46324939
2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 50780952
2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 50781668
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
(2S)-N-cyclopropyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 7246577
N-cyclopropyl-3-(2-ethylbenzimidazol-1-yl)propanamide
CID 115602213
N-cyclopropyl-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide
CID 2518349
2-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide
CID 24793357
N-(1-ethylpiperidin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 128956684

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide (CID 50781324) is N-cyclopropyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide is CCn1c(=O)c(SCC(=O)NC2CC2)nc2ccccc21.
What is the InChIKey of N-cyclopropyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is SMPKITQIAZPYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-2-18-12-6-4-3-5-11(12)17-14(15(18)20)21-9-13(19)16-10-7-8-10/h3-6,10H,2,7-9H2,1H3,(H,16,19).
What are the key properties of N-cyclopropyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide?
N-cyclopropyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 303.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 50781324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).