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

C20H24FN3O2S — CID 135885970

IUPACN-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide
SMILESO=C(Cc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1)NCC1CCCCC1
InChIInChI=1S/C20H24FN3O2S/c21-16-8-6-15(7-9-16)13-27-20-23-17(11-19(26)24-20)10-18(25)22-12-14-4-2-1-3-5-14/h6-9,11,14H,1-5,10,12-13H2,(H,22,25)(H,23,24,26)
InChIKeyAQJIKFJUNWNHEU-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.44
Rot. Bonds7

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

N-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide (PubChem CID 135885970) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide
PubChem CID135885970
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC NameN-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide
SMILESO=C(Cc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1)NCC1CCCCC1
InChIInChI=1S/C20H24FN3O2S/c21-16-8-6-15(7-9-16)13-27-20-23-17(11-19(26)24-20)10-18(25)22-12-14-4-2-1-3-5-14/h6-9,11,14H,1-5,10,12-13H2,(H,22,25)(H,23,24,26)
InChIKeyAQJIKFJUNWNHEU-UHFFFAOYSA-N
XLogP3.44
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide (CID 135885970) is N-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide is O=C(Cc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide?
The InChIKey is AQJIKFJUNWNHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c21-16-8-6-15(7-9-16)13-27-20-23-17(11-19(26)24-20)10-18(25)22-12-14-4-2-1-3-5-14/h6-9,11,14H,1-5,10,12-13H2,(H,22,25)(H,23,24,26).
What are the key properties of N-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide?
N-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide is sourced from PubChem (CID 135885970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).