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

C19H28N4O3S2 — CID 85465519

IUPAC2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CC1CC(=O)NC(SCC(=O)NC2CCCCC2)N1)NCc1cccs1
InChIInChI=1S/C19H28N4O3S2/c24-16(20-11-15-7-4-8-27-15)9-14-10-17(25)23-19(22-14)28-12-18(26)21-13-5-2-1-3-6-13/h4,7-8,13-14,19,22H,1-3,5-6,9-12H2,(H,20,24)(H,21,26)(H,23,25)
InChIKeyUCUHJODOBRKWQM-UHFFFAOYSA-N
MW424.59 g/mol
LogP1.70
Rot. Bonds8

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

2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 85465519) has the molecular formula C19H28N4O3S2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID85465519
Molecular FormulaC19H28N4O3S2
Molecular Weight424.59 g/mol
Exact Mass424.16
IUPAC Name2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CC1CC(=O)NC(SCC(=O)NC2CCCCC2)N1)NCc1cccs1
InChIInChI=1S/C19H28N4O3S2/c24-16(20-11-15-7-4-8-27-15)9-14-10-17(25)23-19(22-14)28-12-18(26)21-13-5-2-1-3-6-13/h4,7-8,13-14,19,22H,1-3,5-6,9-12H2,(H,20,24)(H,21,26)(H,23,25)
InChIKeyUCUHJODOBRKWQM-UHFFFAOYSA-N
XLogP1.70
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 85465528
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-(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
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide
CID 3274426
N-cyclopropyl-2-[2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide
CID 85465322
1-(azepan-3-yl)-3-(thiophen-2-ylmethyl)urea
CID 117235910
(2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468489
2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 62656444
2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 78497102
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119679299

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 85465519) is 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CC1CC(=O)NC(SCC(=O)NC2CCCCC2)N1)NCc1cccs1.
What is the InChIKey of 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is UCUHJODOBRKWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S2/c24-16(20-11-15-7-4-8-27-15)9-14-10-17(25)23-19(22-14)28-12-18(26)21-13-5-2-1-3-6-13/h4,7-8,13-14,19,22H,1-3,5-6,9-12H2,(H,20,24)(H,21,26)(H,23,25).
What are the key properties of 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 424.59 g/mol, XLogP of 1.70, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 85465519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).