N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide

C18H24FN3O2S — CID 74610968

IUPACN-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide
SMILESO=C(CC1CC(=O)NC(SCc2ccccc2F)N1)NC1CCCC1
InChIInChI=1S/C18H24FN3O2S/c19-15-8-4-1-5-12(15)11-25-18-21-14(10-17(24)22-18)9-16(23)20-13-6-2-3-7-13/h1,4-5,8,13-14,18,21H,2-3,6-7,9-11H2,(H,20,23)(H,22,24)
InChIKeyHRPUIXOKVPIOJV-UHFFFAOYSA-N
MW365.47 g/mol
LogP2.27
Rot. Bonds6

About N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide

N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide (PubChem CID 74610968) has the molecular formula C18H24FN3O2S and a molecular weight of 365.47 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide
PubChem CID74610968
Molecular FormulaC18H24FN3O2S
Molecular Weight365.47 g/mol
Exact Mass365.16
IUPAC NameN-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide
SMILESO=C(CC1CC(=O)NC(SCc2ccccc2F)N1)NC1CCCC1
InChIInChI=1S/C18H24FN3O2S/c19-15-8-4-1-5-12(15)11-25-18-21-14(10-17(24)22-18)9-16(23)20-13-6-2-3-7-13/h1,4-5,8,13-14,18,21H,2-3,6-7,9-11H2,(H,20,23)(H,22,24)
InChIKeyHRPUIXOKVPIOJV-UHFFFAOYSA-N
XLogP2.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide (CID 74610968) is N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide is O=C(CC1CC(=O)NC(SCc2ccccc2F)N1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide?
The InChIKey is HRPUIXOKVPIOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2S/c19-15-8-4-1-5-12(15)11-25-18-21-14(10-17(24)22-18)9-16(23)20-13-6-2-3-7-13/h1,4-5,8,13-14,18,21H,2-3,6-7,9-11H2,(H,20,23)(H,22,24).
What are the key properties of N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide?
N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide has a molecular weight of 365.47 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide is sourced from PubChem (CID 74610968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).