(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide

C17H21N3O2S — CID 42353231

IUPAC(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)[C@@H](C)Sc2cc(C)nc(C)n2)cc1
InChIInChI=1S/C17H21N3O2S/c1-5-22-15-8-6-14(7-9-15)20-17(21)12(3)23-16-10-11(2)18-13(4)19-16/h6-10,12H,5H2,1-4H3,(H,20,21)/t12-/m1/s1
InChIKeyQODLUWZPVCEFGJ-GFCCVEGCSA-N
MW331.44 g/mol
LogP3.61
Rot. Bonds6

About (2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide

(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide (PubChem CID 42353231) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is (2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide
PubChem CID42353231
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)[C@@H](C)Sc2cc(C)nc(C)n2)cc1
InChIInChI=1S/C17H21N3O2S/c1-5-22-15-8-6-14(7-9-15)20-17(21)12(3)23-16-10-11(2)18-13(4)19-16/h6-10,12H,5H2,1-4H3,(H,20,21)/t12-/m1/s1
InChIKeyQODLUWZPVCEFGJ-GFCCVEGCSA-N
XLogP3.61
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 17434101
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)butanamide
CID 23858541
2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide
CID 46402563
N-(4-ethoxyphenyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 78722585
(2S)-N-(4-ethoxyphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 42121877
(2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740652
N-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
CID 19629898
N-(2-chlorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide
CID 23611424
methyl (2S)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanoate
CID 51934014
(2S)-N-(4-ethoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8977759
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)propanamide
CID 762694
2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide
CID 84976153

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide (CID 42353231) is (2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)[C@@H](C)Sc2cc(C)nc(C)n2)cc1.
What is the InChIKey of (2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide?
The InChIKey is QODLUWZPVCEFGJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-5-22-15-8-6-14(7-9-15)20-17(21)12(3)23-16-10-11(2)18-13(4)19-16/h6-10,12H,5H2,1-4H3,(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide?
(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide has a molecular weight of 331.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 42353231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).