(2S)-N-(2-ethoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

C15H17N3O3S — CID 7575913

IUPAC(2S)-N-(2-ethoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C)Sc1nccc(=O)[nH]1
InChIInChI=1S/C15H17N3O3S/c1-3-21-12-7-5-4-6-11(12)17-14(20)10(2)22-15-16-9-8-13(19)18-15/h4-10H,3H2,1-2H3,(H,17,20)(H,16,18,19)/t10-/m0/s1
InChIKeyHUNXSSAJZOVSOR-JTQLQIEISA-N
MW319.39 g/mol
LogP2.29
Rot. Bonds6

About (2S)-N-(2-ethoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

(2S)-N-(2-ethoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 7575913) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is (2S)-N-(2-ethoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-ethoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
PubChem CID7575913
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name(2S)-N-(2-ethoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C)Sc1nccc(=O)[nH]1
InChIInChI=1S/C15H17N3O3S/c1-3-21-12-7-5-4-6-11(12)17-14(20)10(2)22-15-16-9-8-13(19)18-15/h4-10H,3H2,1-2H3,(H,17,20)(H,16,18,19)/t10-/m0/s1
InChIKeyHUNXSSAJZOVSOR-JTQLQIEISA-N
XLogP2.29
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate
CID 110379512
(2R)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylpropanamide
CID 7575727
(2R)-N-(2,3-dimethylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7575734
N-(2-ethoxyphenyl)-2-(2-methylphenyl)sulfanylpropanamide
CID 60561490
N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 110379521
(2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 42583664
(2S)-N-(2,5-dimethylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7575933
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)propanamide
CID 8985889
(2R)-N-(2,5-dimethylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7575932
(2R)-N-(2-methoxy-4-nitrophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 9143973
(2S)-N-(2-methoxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 135552196
(2R)-N-(2-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135552392

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (CID 7575913) is (2S)-N-(2-ethoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(2-ethoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N-(2-ethoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is CCOc1ccccc1NC(=O)[C@H](C)Sc1nccc(=O)[nH]1.
What is the InChIKey of (2S)-N-(2-ethoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The InChIKey is HUNXSSAJZOVSOR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-3-21-12-7-5-4-6-11(12)17-14(20)10(2)22-15-16-9-8-13(19)18-15/h4-10H,3H2,1-2H3,(H,17,20)(H,16,18,19)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-ethoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
(2S)-N-(2-ethoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 319.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 7575913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).