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

C14H15N3O2S — CID 30595384

IUPACN-[(4-methylphenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2ccnc(=O)[nH]2)cc1
InChIInChI=1S/C14H15N3O2S/c1-10-2-4-11(5-3-10)8-16-12(18)9-20-13-6-7-15-14(19)17-13/h2-7H,8-9H2,1H3,(H,16,18)(H,15,17,19)
InChIKeyMHGKWROFALULSH-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.49
Rot. Bonds5

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

N-[(4-methylphenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 30595384) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID30595384
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[(4-methylphenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2ccnc(=O)[nH]2)cc1
InChIInChI=1S/C14H15N3O2S/c1-10-2-4-11(5-3-10)8-16-12(18)9-20-13-6-7-15-14(19)17-13/h2-7H,8-9H2,1H3,(H,16,18)(H,15,17,19)
InChIKeyMHGKWROFALULSH-UHFFFAOYSA-N
XLogP1.49
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595674
N-[(4-methylphenyl)methyl]-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide
CID 95919234
N-(2-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 7183852
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 3324372
2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 110278185
2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 79129764
methyl 4-[[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]methyl]benzoate
CID 9144164
N-(2-ethoxyphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595241
N-[(4-fluorophenyl)methyl]-2-[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 22576217
2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 54691545
2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 2536420
2-[(5-ethyl-7-oxo-8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 136637020

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (CID 30595384) is N-[(4-methylphenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is Cc1ccc(CNC(=O)CSc2ccnc(=O)[nH]2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is MHGKWROFALULSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-10-2-4-11(5-3-10)8-16-12(18)9-20-13-6-7-15-14(19)17-13/h2-7H,8-9H2,1H3,(H,16,18)(H,15,17,19).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
N-[(4-methylphenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide has a molecular weight of 289.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 30595384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).