(2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide

C17H20N4O2S — CID 41417263

IUPAC(2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2nc(C)cc(C)n2)c1
InChIInChI=1S/C17H20N4O2S/c1-10-8-11(2)19-17(18-10)24-12(3)16(23)21-15-7-5-6-14(9-15)20-13(4)22/h5-9,12H,1-4H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyCISUVPMCOHLSIC-LBPRGKRZSA-N
MW344.44 g/mol
LogP3.17
Rot. Bonds5

About (2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide

(2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide (PubChem CID 41417263) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is (2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
PubChem CID41417263
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name(2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2nc(C)cc(C)n2)c1
InChIInChI=1S/C17H20N4O2S/c1-10-8-11(2)19-17(18-10)24-12(3)16(23)21-15-7-5-6-14(9-15)20-13(4)22/h5-9,12H,1-4H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyCISUVPMCOHLSIC-LBPRGKRZSA-N
XLogP3.17
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 976741
(2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 975208
(2S)-N-(4-bromophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 1132604
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 41417259
N-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62268560
N-(3-aminophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 61345887
2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 18900946
(2R)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 40623023
(2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide
CID 7389232
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 23743258
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide
CID 136685856
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 41024083

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide (CID 41417263) is (2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide is CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2nc(C)cc(C)n2)c1.
What is the InChIKey of (2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide?
The InChIKey is CISUVPMCOHLSIC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-10-8-11(2)19-17(18-10)24-12(3)16(23)21-15-7-5-6-14(9-15)20-13(4)22/h5-9,12H,1-4H3,(H,20,22)(H,21,23)/t12-/m0/s1.
What are the key properties of (2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide?
(2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide has a molecular weight of 344.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 41417263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).