N-[(1S)-1-(4-methylphenyl)propyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C16H19N3O2S — CID 9143525

IUPACN-[(1S)-1-(4-methylphenyl)propyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC[C@H](NC(=O)CSc1nccc(=O)[nH]1)c1ccc(C)cc1
InChIInChI=1S/C16H19N3O2S/c1-3-13(12-6-4-11(2)5-7-12)18-15(21)10-22-16-17-9-8-14(20)19-16/h4-9,13H,3,10H2,1-2H3,(H,18,21)(H,17,19,20)/t13-/m0/s1
InChIKeyHIVHKBUEPDMIHS-ZDUSSCGKSA-N
MW317.41 g/mol
LogP2.44
Rot. Bonds6

About N-[(1S)-1-(4-methylphenyl)propyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-[(1S)-1-(4-methylphenyl)propyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 9143525) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylphenyl)propyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylphenyl)propyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID9143525
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[(1S)-1-(4-methylphenyl)propyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC[C@H](NC(=O)CSc1nccc(=O)[nH]1)c1ccc(C)cc1
InChIInChI=1S/C16H19N3O2S/c1-3-13(12-6-4-11(2)5-7-12)18-15(21)10-22-16-17-9-8-14(20)19-16/h4-9,13H,3,10H2,1-2H3,(H,18,21)(H,17,19,20)/t13-/m0/s1
InChIKeyHIVHKBUEPDMIHS-ZDUSSCGKSA-N
XLogP2.44
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-(4-methylphenyl)propyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide with MolForge

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Related Compounds

methyl 2-[2-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135597104
N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 39759075
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7213972
N-benzhydryl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2212940
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 860054
2-[2-amino-2-(4-methylphenyl)ethyl]sulfanyl-1H-pyrimidin-6-one
CID 64610329
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
CID 9143912
N-[(1R)-1-(4-methylphenyl)propyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8624712
2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide
CID 43905510
2-[(4-methylphenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94016651
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 9144280
2-(2,5-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 9155685

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylphenyl)propyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(1S)-1-(4-methylphenyl)propyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 9143525) is N-[(1S)-1-(4-methylphenyl)propyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-methylphenyl)propyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(1S)-1-(4-methylphenyl)propyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CC[C@H](NC(=O)CSc1nccc(=O)[nH]1)c1ccc(C)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylphenyl)propyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is HIVHKBUEPDMIHS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-3-13(12-6-4-11(2)5-7-12)18-15(21)10-22-16-17-9-8-14(20)19-16/h4-9,13H,3,10H2,1-2H3,(H,18,21)(H,17,19,20)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylphenyl)propyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-[(1S)-1-(4-methylphenyl)propyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylphenyl)propyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 9143525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).