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

C20H28FN3O2S — CID 74527028

IUPACN-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide
SMILESO=C(CC1CC(=O)NC(SCc2ccc(F)cc2)N1)NCC1CCCCC1
InChIInChI=1S/C20H28FN3O2S/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/h6-9,14,17,20,23H,1-5,10-13H2,(H,22,25)(H,24,26)
InChIKeyJJMWAHLXTQMIJU-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.91
Rot. Bonds7

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

N-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide (PubChem CID 74527028) has the molecular formula C20H28FN3O2S and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide
PubChem CID74527028
Molecular FormulaC20H28FN3O2S
Molecular Weight393.53 g/mol
Exact Mass393.19
IUPAC NameN-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide
SMILESO=C(CC1CC(=O)NC(SCc2ccc(F)cc2)N1)NCC1CCCCC1
InChIInChI=1S/C20H28FN3O2S/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/h6-9,14,17,20,23H,1-5,10-13H2,(H,22,25)(H,24,26)
InChIKeyJJMWAHLXTQMIJU-UHFFFAOYSA-N
XLogP2.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.91
H-Bond Donors ≤ 53
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-1,3-diazinan-4-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide (CID 74527028) is N-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide is O=C(CC1CC(=O)NC(SCc2ccc(F)cc2)N1)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide?
The InChIKey is JJMWAHLXTQMIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2S/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/h6-9,14,17,20,23H,1-5,10-13H2,(H,22,25)(H,24,26).
What are the key properties of N-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide?
N-(cyclohexylmethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide has a molecular weight of 393.53 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 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-1,3-diazinan-4-yl]acetamide is sourced from PubChem (CID 74527028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).