N-(4-chlorophenyl)-2-[(5-cyclohexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C18H20ClN3O3S — CID 650317

IUPACN-(4-chlorophenyl)-2-[(5-cyclohexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(O)c(C2CCCCC2)c(=O)[nH]1)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O3S/c19-12-6-8-13(9-7-12)20-14(23)10-26-18-21-16(24)15(17(25)22-18)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,20,23)(H2,21,22,24,25)
InChIKeySZLPLTUELZPYPU-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.91
Rot. Bonds5

About N-(4-chlorophenyl)-2-[(5-cyclohexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(4-chlorophenyl)-2-[(5-cyclohexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 650317) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(5-cyclohexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(5-cyclohexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID650317
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-(4-chlorophenyl)-2-[(5-cyclohexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(O)c(C2CCCCC2)c(=O)[nH]1)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O3S/c19-12-6-8-13(9-7-12)20-14(23)10-26-18-21-16(24)15(17(25)22-18)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,20,23)(H2,21,22,24,25)
InChIKeySZLPLTUELZPYPU-UHFFFAOYSA-N
XLogP3.91
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(5-cyclohexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(5-cyclohexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 650317) is N-(4-chlorophenyl)-2-[(5-cyclohexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(5-cyclohexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(5-cyclohexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is O=C(CSc1nc(O)c(C2CCCCC2)c(=O)[nH]1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(5-cyclohexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is SZLPLTUELZPYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c19-12-6-8-13(9-7-12)20-14(23)10-26-18-21-16(24)15(17(25)22-18)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,20,23)(H2,21,22,24,25).
What are the key properties of N-(4-chlorophenyl)-2-[(5-cyclohexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(4-chlorophenyl)-2-[(5-cyclohexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 393.90 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(5-cyclohexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 650317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).