2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide

C14H20N4O3S2 — CID 85465528

IUPAC2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCNC(=O)CSC1NC(=O)CC(CC(=O)NCc2cccs2)N1
InChIInChI=1S/C14H20N4O3S2/c1-15-13(21)8-23-14-17-9(6-12(20)18-14)5-11(19)16-7-10-3-2-4-22-10/h2-4,9,14,17H,5-8H2,1H3,(H,15,21)(H,16,19)(H,18,20)
InChIKeyCBBXLNIITQJUQG-UHFFFAOYSA-N
MW356.47 g/mol
LogP-0.00
Rot. Bonds7

About 2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 85465528) has the molecular formula C14H20N4O3S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID85465528
Molecular FormulaC14H20N4O3S2
Molecular Weight356.47 g/mol
Exact Mass356.10
IUPAC Name2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCNC(=O)CSC1NC(=O)CC(CC(=O)NCc2cccs2)N1
InChIInChI=1S/C14H20N4O3S2/c1-15-13(21)8-23-14-17-9(6-12(20)18-14)5-11(19)16-7-10-3-2-4-22-10/h2-4,9,14,17H,5-8H2,1H3,(H,15,21)(H,16,19)(H,18,20)
InChIKeyCBBXLNIITQJUQG-UHFFFAOYSA-N
XLogP-0.00
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)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-[2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 85465531
2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 85465519
2-[2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 85465503
ethyl 2-[[2-[[4-oxo-6-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-diazinan-2-yl]sulfanyl]acetyl]amino]benzoate
CID 85465513
2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 78497102
N-benzyl-2-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide
CID 74611364
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119679299
N-methyl-2-[2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide
CID 85465252
N-[(3-methoxyphenyl)methyl]-2-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide
CID 85465566
2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 74611037
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 80519770
2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 110283393

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 85465528) is 2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide is CNC(=O)CSC1NC(=O)CC(CC(=O)NCc2cccs2)N1.
What is the InChIKey of 2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is CBBXLNIITQJUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S2/c1-15-13(21)8-23-14-17-9(6-12(20)18-14)5-11(19)16-7-10-3-2-4-22-10/h2-4,9,14,17H,5-8H2,1H3,(H,15,21)(H,16,19)(H,18,20).
What are the key properties of 2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 356.47 g/mol, XLogP of -0.00, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 85465528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).