(2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide

C16H19N3O2S — CID 1408761

IUPAC(2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C)Sc1cc(C)ncn1
InChIInChI=1S/C16H19N3O2S/c1-4-21-14-8-6-5-7-13(14)19-16(20)12(3)22-15-9-11(2)17-10-18-15/h5-10,12H,4H2,1-3H3,(H,19,20)/t12-/m0/s1
InChIKeyDSTWXFBNDMUYSA-LBPRGKRZSA-N
MW317.41 g/mol
LogP3.30
Rot. Bonds6

About (2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide

(2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide (PubChem CID 1408761) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is (2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
PubChem CID1408761
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name(2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C)Sc1cc(C)ncn1
InChIInChI=1S/C16H19N3O2S/c1-4-21-14-8-6-5-7-13(14)19-16(20)12(3)22-15-9-11(2)17-10-18-15/h5-10,12H,4H2,1-3H3,(H,19,20)/t12-/m0/s1
InChIKeyDSTWXFBNDMUYSA-LBPRGKRZSA-N
XLogP3.30
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-(2-methylphenyl)sulfanylpropanamide
CID 60561490
(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide
CID 1408751
(2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 42583664
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)propanamide
CID 8985889
2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide
CID 46304677
(2R)-N-(5-chloro-2-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 42353215
N-(2-ethoxyphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 51280481
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
(2S)-N-(2-ethoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7575913
(2S)-N-(2-ethoxyphenyl)-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propanamide
CID 42353238
N-(2-ethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 46629614
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide (CID 1408761) is (2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide is CCOc1ccccc1NC(=O)[C@H](C)Sc1cc(C)ncn1.
What is the InChIKey of (2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide?
The InChIKey is DSTWXFBNDMUYSA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-4-21-14-8-6-5-7-13(14)19-16(20)12(3)22-15-9-11(2)17-10-18-15/h5-10,12H,4H2,1-3H3,(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide?
(2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide has a molecular weight of 317.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 1408761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).