2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(2-phenylethyl)acetamide

C20H28N4O4S — CID 85465609

IUPAC2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CC1CC(=O)NC(SCC(=O)N2CCOCC2)N1)NCCc1ccccc1
InChIInChI=1S/C20H28N4O4S/c25-17(21-7-6-15-4-2-1-3-5-15)12-16-13-18(26)23-20(22-16)29-14-19(27)24-8-10-28-11-9-24/h1-5,16,20,22H,6-14H2,(H,21,25)(H,23,26)
InChIKeyNVVHJZTVDMMSNX-UHFFFAOYSA-N
MW420.54 g/mol
LogP0.09
Rot. Bonds8

About 2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(2-phenylethyl)acetamide

2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(2-phenylethyl)acetamide (PubChem CID 85465609) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(2-phenylethyl)acetamide
PubChem CID85465609
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC Name2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CC1CC(=O)NC(SCC(=O)N2CCOCC2)N1)NCCc1ccccc1
InChIInChI=1S/C20H28N4O4S/c25-17(21-7-6-15-4-2-1-3-5-15)12-16-13-18(26)23-20(22-16)29-14-19(27)24-8-10-28-11-9-24/h1-5,16,20,22H,6-14H2,(H,21,25)(H,23,26)
InChIKeyNVVHJZTVDMMSNX-UHFFFAOYSA-N
XLogP0.09
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(2-phenylethyl)acetamide 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

2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 30653596
3-morpholin-4-yl-3-oxo-N-(3-phenylpropyl)propanamide
CID 108943481
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
2-morpholin-2-yl-N-(2-phenylethyl)acetamide
CID 66434342
N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide
CID 23766297
2-[(2-fluorophenyl)methylsulfanyl]-6-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazinan-4-one
CID 74610946
2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide
CID 54659116
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]acetamide
CID 78311462
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]-N-(2-phenylethyl)acetamide
CID 54643037
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(2-phenylethyl)acetamide (CID 85465609) is 2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(2-phenylethyl)acetamide is O=C(CC1CC(=O)NC(SCC(=O)N2CCOCC2)N1)NCCc1ccccc1.
What is the InChIKey of 2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is NVVHJZTVDMMSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c25-17(21-7-6-15-4-2-1-3-5-15)12-16-13-18(26)23-20(22-16)29-14-19(27)24-8-10-28-11-9-24/h1-5,16,20,22H,6-14H2,(H,21,25)(H,23,26).
What are the key properties of 2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(2-phenylethyl)acetamide?
2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 420.54 g/mol, XLogP of 0.09, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 85465609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).