N-[4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide

C15H15N3O3S — CID 135446479

IUPACN-[4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C15H15N3O3S/c1-9-7-14(21)18-15(16-9)22-8-13(20)11-3-5-12(6-4-11)17-10(2)19/h3-7H,8H2,1-2H3,(H,17,19)(H,16,18,21)
InChIKeyNZVOKXQPGIDGBV-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.01
Rot. Bonds5

About N-[4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide

N-[4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide (PubChem CID 135446479) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide
PubChem CID135446479
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-[4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C15H15N3O3S/c1-9-7-14(21)18-15(16-9)22-8-13(20)11-3-5-12(6-4-11)17-10(2)19/h3-7H,8H2,1-2H3,(H,17,19)(H,16,18,21)
InChIKeyNZVOKXQPGIDGBV-UHFFFAOYSA-N
XLogP2.01
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-sulfanylacetamide
CID 83773639
N-(4-acetylphenyl)-2-carbamoylthioacetamide
CID 235402
1-{4-[(5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl}ethan-1-one
CID 2384537
2-(4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamide
CID 680931
N-(4-carbamoylphenyl)-4-(methylsulfanylmethyl)benzamide
CID 2558823
2-[(5-benzyl-4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135419136
2-[(4-ethylphenyl)amino]-4H-3,1-benzothiazin-4-one
CID 2905565
2-butan-2-ylsulfanyl-1H-quinazolin-4-one
CID 135435934
7-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 135858320
N-(4-methylphenyl)-2-[(4-oxo-6-propyl-1,4-dihydro-2-pyrimidinyl)thio]acetamide
CID 135408881
Acetamide, 2-((3,4-dihydro-3-(2-methylphenyl)-4-oxo-2-quinazolinyl)thio)-
CID 921905
2-(5-Acetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-ylthio)-N-phenylacetamide (4a)
CID 122198604

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide (CID 135446479) is N-[4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CSc2nc(C)cc(=O)[nH]2)cc1.
What is the InChIKey of N-[4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide?
The InChIKey is NZVOKXQPGIDGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-9-7-14(21)18-15(16-9)22-8-13(20)11-3-5-12(6-4-11)17-10(2)19/h3-7H,8H2,1-2H3,(H,17,19)(H,16,18,21).
What are the key properties of N-[4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide?
N-[4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide has a molecular weight of 317.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide is sourced from PubChem (CID 135446479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).