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

C14H13N3O3S — CID 2968139

IUPACN-[4-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nccc(=O)[nH]2)cc1
InChIInChI=1S/C14H13N3O3S/c1-9(18)16-11-4-2-10(3-5-11)12(19)8-21-14-15-7-6-13(20)17-14/h2-7H,8H2,1H3,(H,16,18)(H,15,17,20)
InChIKeyOASBVFAQMBBWIK-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.70
Rot. Bonds5

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

N-[4-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide (PubChem CID 2968139) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[4-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide
PubChem CID2968139
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC NameN-[4-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nccc(=O)[nH]2)cc1
InChIInChI=1S/C14H13N3O3S/c1-9(18)16-11-4-2-10(3-5-11)12(19)8-21-14-15-7-6-13(20)17-14/h2-7H,8H2,1H3,(H,16,18)(H,15,17,20)
InChIKeyOASBVFAQMBBWIK-UHFFFAOYSA-N
XLogP1.70
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.70
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-[(5-benzyl-4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135419136
N-(4-ethylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4673121
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
2-(5-Acetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-ylthio)-N-phenylacetamide (4a)
CID 122198604
N-(4-Acetyl-phenyl)-2-[3-(3-methoxy-propyl)-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl]-acetamide
CID 652967
N-(4-Acetylphenyl)-2-(isopropylthio)acetamide
CID 677408
N-(4-acetylphenyl)-2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
CID 2228977
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2532351

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide (CID 2968139) is N-[4-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CSc2nccc(=O)[nH]2)cc1.
What is the InChIKey of N-[4-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide?
The InChIKey is OASBVFAQMBBWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-9(18)16-11-4-2-10(3-5-11)12(19)8-21-14-15-7-6-13(20)17-14/h2-7H,8H2,1H3,(H,16,18)(H,15,17,20).
What are the key properties of N-[4-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide?
N-[4-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide has a molecular weight of 303.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide is sourced from PubChem (CID 2968139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).