N-(2-ethyl-6-methylphenyl)-2-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide

C15H21N3O2S — CID 78305593

IUPACN-(2-ethyl-6-methylphenyl)-2-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide
SMILESCCc1cccc(C)c1NC(=O)CSC1NCCC(=O)N1
InChIInChI=1S/C15H21N3O2S/c1-3-11-6-4-5-10(2)14(11)17-13(20)9-21-15-16-8-7-12(19)18-15/h4-6,15-16H,3,7-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyJZBGXYDMOCRUGS-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.62
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-2-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide

N-(2-ethyl-6-methylphenyl)-2-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide (PubChem CID 78305593) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide
PubChem CID78305593
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide
SMILESCCc1cccc(C)c1NC(=O)CSC1NCCC(=O)N1
InChIInChI=1S/C15H21N3O2S/c1-3-11-6-4-5-10(2)14(11)17-13(20)9-21-15-16-8-7-12(19)18-15/h4-6,15-16H,3,7-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyJZBGXYDMOCRUGS-UHFFFAOYSA-N
XLogP1.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626374
N-(2-ethyl-6-methylphenyl)-2-[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 1243902
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
cyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium
CID 8875644
N-(2-ethyl-6-methylphenyl)azepane-2-carboxamide
CID 64562791
2-[(3S)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
CID 2234440
N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815604
N-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299311
N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282563
N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 28631186
N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide
CID 62654437
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide (CID 78305593) is N-(2-ethyl-6-methylphenyl)-2-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide is CCc1cccc(C)c1NC(=O)CSC1NCCC(=O)N1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide?
The InChIKey is JZBGXYDMOCRUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-11-6-4-5-10(2)14(11)17-13(20)9-21-15-16-8-7-12(19)18-15/h4-6,15-16H,3,7-9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide has a molecular weight of 307.42 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 78305593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).