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

C9H12N4O3S — CID 9143839

IUPACN-(ethylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCNC(=O)NC(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C9H12N4O3S/c1-2-10-8(16)12-7(15)5-17-9-11-4-3-6(14)13-9/h3-4H,2,5H2,1H3,(H,11,13,14)(H2,10,12,15,16)
InChIKeyUCTZHWXLZFBUPP-UHFFFAOYSA-N
MW256.29 g/mol
LogP-0.29
Rot. Bonds4

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

N-(ethylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 9143839) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID9143839
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC NameN-(ethylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCNC(=O)NC(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C9H12N4O3S/c1-2-10-8(16)12-7(15)5-17-9-11-4-3-6(14)13-9/h3-4H,2,5H2,1H3,(H,11,13,14)(H2,10,12,15,16)
InChIKeyUCTZHWXLZFBUPP-UHFFFAOYSA-N
XLogP-0.29
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 9143839) is N-(ethylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCNC(=O)NC(=O)CSc1nccc(=O)[nH]1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is UCTZHWXLZFBUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S/c1-2-10-8(16)12-7(15)5-17-9-11-4-3-6(14)13-9/h3-4H,2,5H2,1H3,(H,11,13,14)(H2,10,12,15,16).
What are the key properties of N-(ethylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(ethylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 256.29 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 9143839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).