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

C15H21N3O3S — CID 78457461

IUPACN-(2-ethoxyphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)CSC1CC(C)NC(=O)N1
InChIInChI=1S/C15H21N3O3S/c1-3-21-12-7-5-4-6-11(12)17-13(19)9-22-14-8-10(2)16-15(20)18-14/h4-7,10,14H,3,8-9H2,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyMMDSLGARMGXAGL-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.17
Rot. Bonds6

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

N-(2-ethoxyphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide (PubChem CID 78457461) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide
PubChem CID78457461
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-(2-ethoxyphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)CSC1CC(C)NC(=O)N1
InChIInChI=1S/C15H21N3O3S/c1-3-21-12-7-5-4-6-11(12)17-13(19)9-22-14-8-10(2)16-15(20)18-14/h4-7,10,14H,3,8-9H2,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyMMDSLGARMGXAGL-UHFFFAOYSA-N
XLogP2.17
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide (CID 78457461) is N-(2-ethoxyphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide is CCOc1ccccc1NC(=O)CSC1CC(C)NC(=O)N1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide?
The InChIKey is MMDSLGARMGXAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-3-21-12-7-5-4-6-11(12)17-13(19)9-22-14-8-10(2)16-15(20)18-14/h4-7,10,14H,3,8-9H2,1-2H3,(H,17,19)(H2,16,18,20).
What are the key properties of N-(2-ethoxyphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide?
N-(2-ethoxyphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide has a molecular weight of 323.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 78457461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).