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

C14H15N3O2S — CID 7183843

IUPACN-(4-ethylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSc2ccnc(=O)[nH]2)cc1
InChIInChI=1S/C14H15N3O2S/c1-2-10-3-5-11(6-4-10)16-12(18)9-20-13-7-8-15-14(19)17-13/h3-8H,2,9H2,1H3,(H,16,18)(H,15,17,19)
InChIKeyQWQPLSDLBATMEG-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.06
Rot. Bonds5

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

N-(4-ethylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 7183843) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID7183843
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-(4-ethylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSc2ccnc(=O)[nH]2)cc1
InChIInChI=1S/C14H15N3O2S/c1-2-10-3-5-11(6-4-10)16-12(18)9-20-13-7-8-15-14(19)17-13/h3-8H,2,9H2,1H3,(H,16,18)(H,15,17,19)
InChIKeyQWQPLSDLBATMEG-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (CID 7183843) is N-(4-ethylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is CCc1ccc(NC(=O)CSc2ccnc(=O)[nH]2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is QWQPLSDLBATMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-2-10-3-5-11(6-4-10)16-12(18)9-20-13-7-8-15-14(19)17-13/h3-8H,2,9H2,1H3,(H,16,18)(H,15,17,19).
What are the key properties of N-(4-ethylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
N-(4-ethylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide has a molecular weight of 289.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 7183843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).