2-[ethyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]-N-propan-2-ylacetamide

C13H20N4O2S — CID 17435061

IUPAC2-[ethyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CSc1ncccn1
InChIInChI=1S/C13H20N4O2S/c1-4-17(8-11(18)16-10(2)3)12(19)9-20-13-14-6-5-7-15-13/h5-7,10H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyMZESWXPCJOIYCP-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.94
Rot. Bonds7

About 2-[ethyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]-N-propan-2-ylacetamide

2-[ethyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]-N-propan-2-ylacetamide (PubChem CID 17435061) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-[ethyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]-N-propan-2-ylacetamide
PubChem CID17435061
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name2-[ethyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CSc1ncccn1
InChIInChI=1S/C13H20N4O2S/c1-4-17(8-11(18)16-10(2)3)12(19)9-20-13-14-6-5-7-15-13/h5-7,10H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyMZESWXPCJOIYCP-UHFFFAOYSA-N
XLogP0.94
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(2-methylprop-2-enyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 47095346
2-[ethyl-[2-(2-hydroxyphenyl)sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 62000330
2-[[2-[(6-amino-3-pyridinyl)sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 43301773
2-[ethyl-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
CID 41481145
2-[[2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 24505569
2-[ethyl-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
CID 17445468
2-[ethyl-[2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
CID 24576230
2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide
CID 18131175
N-ethyl-3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54986003
2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 17440164
2-[[2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 7449078
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 24657890

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]-N-propan-2-ylacetamide (CID 17435061) is 2-[ethyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)C(=O)CSc1ncccn1.
What is the InChIKey of 2-[ethyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]-N-propan-2-ylacetamide?
The InChIKey is MZESWXPCJOIYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-4-17(8-11(18)16-10(2)3)12(19)9-20-13-14-6-5-7-15-13/h5-7,10H,4,8-9H2,1-3H3,(H,16,18).
What are the key properties of 2-[ethyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]-N-propan-2-ylacetamide?
2-[ethyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]-N-propan-2-ylacetamide has a molecular weight of 296.40 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 17435061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).