N-(2,3-dimethylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide

C15H17N3O2S — CID 16822719

IUPACN-(2,3-dimethylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCc1cnc(=O)[nH]c1SCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C15H17N3O2S/c1-9-5-4-6-12(11(9)3)17-13(19)8-21-14-10(2)7-16-15(20)18-14/h4-7H,8H2,1-3H3,(H,17,19)(H,16,18,20)
InChIKeyWQKLWLURQCZNSA-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.43
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide

N-(2,3-dimethylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 16822719) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID16822719
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-(2,3-dimethylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCc1cnc(=O)[nH]c1SCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C15H17N3O2S/c1-9-5-4-6-12(11(9)3)17-13(19)8-21-14-10(2)7-16-15(20)18-14/h4-7H,8H2,1-3H3,(H,17,19)(H,16,18,20)
InChIKeyWQKLWLURQCZNSA-UHFFFAOYSA-N
XLogP2.43
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (CID 16822719) is N-(2,3-dimethylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is Cc1cnc(=O)[nH]c1SCC(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is WQKLWLURQCZNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9-5-4-6-12(11(9)3)17-13(19)8-21-14-10(2)7-16-15(20)18-14/h4-7H,8H2,1-3H3,(H,17,19)(H,16,18,20).
What are the key properties of N-(2,3-dimethylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
N-(2,3-dimethylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide has a molecular weight of 303.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 16822719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).