(2S)-2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide

C19H23N3O2S — CID 25474370

IUPAC(2S)-2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
SMILESCC(=O)c1c(C)nc(C)nc1S[C@@H](C)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C19H23N3O2S/c1-10-7-8-11(2)16(9-10)22-18(24)14(5)25-19-17(13(4)23)12(3)20-15(6)21-19/h7-9,14H,1-6H3,(H,22,24)/t14-/m0/s1
InChIKeyGCOVZHCPFCMXLQ-AWEZNQCLSA-N
MW357.48 g/mol
LogP4.03
Rot. Bonds5

About (2S)-2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide

(2S)-2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide (PubChem CID 25474370) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is (2S)-2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
PubChem CID25474370
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name(2S)-2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
SMILESCC(=O)c1c(C)nc(C)nc1S[C@@H](C)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C19H23N3O2S/c1-10-7-8-11(2)16(9-10)22-18(24)14(5)25-19-17(13(4)23)12(3)20-15(6)21-19/h7-9,14H,1-6H3,(H,22,24)/t14-/m0/s1
InChIKeyGCOVZHCPFCMXLQ-AWEZNQCLSA-N
XLogP4.03
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 42883471
2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42883921
(2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 8734713
N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857329
2-(2-aminoethylsulfanyl)-N-(2,5-dimethylphenyl)propanamide
CID 82179912
(2S)-2-(2,5-difluorophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 9062922
(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 26806694
(2S)-N-(2,5-dimethylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7575933
(2R)-N-(2,5-dimethylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7575932
2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 82095645
N-(2,5-dimethylphenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 55422465
N-(2,5-dimethylphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]propanamide
CID 135595014

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of (2S)-2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide (CID 25474370) is (2S)-2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide is CC(=O)c1c(C)nc(C)nc1S[C@@H](C)C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of (2S)-2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is GCOVZHCPFCMXLQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-10-7-8-11(2)16(9-10)22-18(24)14(5)25-19-17(13(4)23)12(3)20-15(6)21-19/h7-9,14H,1-6H3,(H,22,24)/t14-/m0/s1.
What are the key properties of (2S)-2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide?
(2S)-2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 357.48 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 25474370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).