N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide

C19H22FN3O2S — CID 135885960

IUPACN-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide
SMILESO=C(Cc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1)NC1CCCCC1
InChIInChI=1S/C19H22FN3O2S/c20-14-8-6-13(7-9-14)12-26-19-22-16(11-18(25)23-19)10-17(24)21-15-4-2-1-3-5-15/h6-9,11,15H,1-5,10,12H2,(H,21,24)(H,22,23,25)
InChIKeyMXNITRIIDCHVJV-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.19
Rot. Bonds6

About N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide

N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide (PubChem CID 135885960) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide
PubChem CID135885960
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC NameN-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide
SMILESO=C(Cc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1)NC1CCCCC1
InChIInChI=1S/C19H22FN3O2S/c20-14-8-6-13(7-9-14)12-26-19-22-16(11-18(25)23-19)10-17(24)21-15-4-2-1-3-5-15/h6-9,11,15H,1-5,10,12H2,(H,21,24)(H,22,23,25)
InChIKeyMXNITRIIDCHVJV-UHFFFAOYSA-N
XLogP3.19
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide (CID 135885960) is N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide is O=C(Cc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide?
The InChIKey is MXNITRIIDCHVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c20-14-8-6-13(7-9-14)12-26-19-22-16(11-18(25)23-19)10-17(24)21-15-4-2-1-3-5-15/h6-9,11,15H,1-5,10,12H2,(H,21,24)(H,22,23,25).
What are the key properties of N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide?
N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide has a molecular weight of 375.47 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide is sourced from PubChem (CID 135885960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).