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

C13H13N3O3S — CID 860063

IUPACN-(2-methoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCOc1ccccc1NC(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C13H13N3O3S/c1-19-10-5-3-2-4-9(10)15-12(18)8-20-13-14-7-6-11(17)16-13/h2-7H,8H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyMPRCVLFREDTJPC-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.51
Rot. Bonds5

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

N-(2-methoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 860063) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID860063
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-(2-methoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCOc1ccccc1NC(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C13H13N3O3S/c1-19-10-5-3-2-4-9(10)15-12(18)8-20-13-14-7-6-11(17)16-13/h2-7H,8H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyMPRCVLFREDTJPC-UHFFFAOYSA-N
XLogP1.51
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 860063) is N-(2-methoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is COc1ccccc1NC(=O)CSc1nccc(=O)[nH]1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is MPRCVLFREDTJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-19-10-5-3-2-4-9(10)15-12(18)8-20-13-14-7-6-11(17)16-13/h2-7H,8H2,1H3,(H,15,18)(H,14,16,17).
What are the key properties of N-(2-methoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(2-methoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 291.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 860063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).