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

C13H18N4O3S — CID 9143680

IUPACN-(cyclohexylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)NC(=O)NC1CCCCC1
InChIInChI=1S/C13H18N4O3S/c18-10-6-7-14-13(17-10)21-8-11(19)16-12(20)15-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,17,18)(H2,15,16,19,20)
InChIKeyOLHFPSORZZQHBK-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.02
Rot. Bonds4

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

N-(cyclohexylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 9143680) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID9143680
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC NameN-(cyclohexylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)NC(=O)NC1CCCCC1
InChIInChI=1S/C13H18N4O3S/c18-10-6-7-14-13(17-10)21-8-11(19)16-12(20)15-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,17,18)(H2,15,16,19,20)
InChIKeyOLHFPSORZZQHBK-UHFFFAOYSA-N
XLogP1.02
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 9143680) is N-(cyclohexylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is O=C(CSc1nccc(=O)[nH]1)NC(=O)NC1CCCCC1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is OLHFPSORZZQHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c18-10-6-7-14-13(17-10)21-8-11(19)16-12(20)15-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,17,18)(H2,15,16,19,20).
What are the key properties of N-(cyclohexylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(cyclohexylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 310.38 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 9143680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).