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

C19H26FN3O2S — CID 74527017

IUPACN-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide
SMILESO=C(CC1CC(=O)NC(SCc2ccc(F)cc2)N1)NC1CCCCC1
InChIInChI=1S/C19H26FN3O2S/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/h6-9,15-16,19,22H,1-5,10-12H2,(H,21,24)(H,23,25)
InChIKeyRFYGFWKZGUASGJ-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.66
Rot. Bonds6

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

N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide (PubChem CID 74527017) has the molecular formula C19H26FN3O2S and a molecular weight of 379.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide
PubChem CID74527017
Molecular FormulaC19H26FN3O2S
Molecular Weight379.50 g/mol
Exact Mass379.17
IUPAC NameN-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide
SMILESO=C(CC1CC(=O)NC(SCc2ccc(F)cc2)N1)NC1CCCCC1
InChIInChI=1S/C19H26FN3O2S/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/h6-9,15-16,19,22H,1-5,10-12H2,(H,21,24)(H,23,25)
InChIKeyRFYGFWKZGUASGJ-UHFFFAOYSA-N
XLogP2.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.66
H-Bond Donors ≤ 53
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-1,3-diazinan-4-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide (CID 74527017) is N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide is O=C(CC1CC(=O)NC(SCc2ccc(F)cc2)N1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide?
The InChIKey is RFYGFWKZGUASGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2S/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/h6-9,15-16,19,22H,1-5,10-12H2,(H,21,24)(H,23,25).
What are the key properties of N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide?
N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 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-1,3-diazinan-4-yl]acetamide is sourced from PubChem (CID 74527017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).