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

C19H24N4O3S — CID 135415498

IUPAC2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)n1
InChIInChI=1S/C19H24N4O3S/c1-4-5-15-10-16(24)22-19(21-15)27-12-18(26)23(3)11-17(25)20-14-8-6-13(2)7-9-14/h6-10H,4-5,11-12H2,1-3H3,(H,20,25)(H,21,22,24)
InChIKeyUEFUPYOVOXSLHF-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.22
Rot. Bonds8

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

2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 135415498) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
PubChem CID135415498
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)n1
InChIInChI=1S/C19H24N4O3S/c1-4-5-15-10-16(24)22-19(21-15)27-12-18(26)23(3)11-17(25)20-14-8-6-13(2)7-9-14/h6-10H,4-5,11-12H2,1-3H3,(H,20,25)(H,21,22,24)
InChIKeyUEFUPYOVOXSLHF-UHFFFAOYSA-N
XLogP2.22
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide (CID 135415498) is 2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide is CCCc1cc(=O)[nH]c(SCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)n1.
What is the InChIKey of 2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is UEFUPYOVOXSLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-4-5-15-10-16(24)22-19(21-15)27-12-18(26)23(3)11-17(25)20-14-8-6-13(2)7-9-14/h6-10H,4-5,11-12H2,1-3H3,(H,20,25)(H,21,22,24).
What are the key properties of 2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide?
2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 388.49 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 135415498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).