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

C14H15N3O3S — CID 135422713

IUPACN-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C14H15N3O3S/c1-9-7-12(18)17-14(15-9)21-8-13(19)16-10-3-5-11(20-2)6-4-10/h3-7H,8H2,1-2H3,(H,16,19)(H,15,17,18)
InChIKeyHQKPIOAUAJWIKX-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.82
Rot. Bonds5

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

N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135422713) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135422713
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C14H15N3O3S/c1-9-7-12(18)17-14(15-9)21-8-13(19)16-10-3-5-11(20-2)6-4-10/h3-7H,8H2,1-2H3,(H,16,19)(H,15,17,18)
InChIKeyHQKPIOAUAJWIKX-UHFFFAOYSA-N
XLogP1.82
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135422713) is N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is COc1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is HQKPIOAUAJWIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-7-12(18)17-14(15-9)21-8-13(19)16-10-3-5-11(20-2)6-4-10/h3-7H,8H2,1-2H3,(H,16,19)(H,15,17,18).
What are the key properties of N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 305.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135422713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).