N-(2,6-difluorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide

C18H21F2N3O3S — CID 24979760

IUPACN-(2,6-difluorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSCc1c(C)noc1C
InChIInChI=1S/C18H21F2N3O3S/c1-4-23(8-16(24)21-18-14(19)6-5-7-15(18)20)17(25)10-27-9-13-11(2)22-26-12(13)3/h5-7H,4,8-10H2,1-3H3,(H,21,24)
InChIKeyLZUGQLJOFIZKHG-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.29
Rot. Bonds8

About N-(2,6-difluorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide

N-(2,6-difluorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide (PubChem CID 24979760) has the molecular formula C18H21F2N3O3S and a molecular weight of 397.45 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide
PubChem CID24979760
Molecular FormulaC18H21F2N3O3S
Molecular Weight397.45 g/mol
Exact Mass397.13
IUPAC NameN-(2,6-difluorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSCc1c(C)noc1C
InChIInChI=1S/C18H21F2N3O3S/c1-4-23(8-16(24)21-18-14(19)6-5-7-15(18)20)17(25)10-27-9-13-11(2)22-26-12(13)3/h5-7H,4,8-10H2,1-3H3,(H,21,24)
InChIKeyLZUGQLJOFIZKHG-UHFFFAOYSA-N
XLogP3.29
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide (CID 24979760) is N-(2,6-difluorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSCc1c(C)noc1C.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide?
The InChIKey is LZUGQLJOFIZKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O3S/c1-4-23(8-16(24)21-18-14(19)6-5-7-15(18)20)17(25)10-27-9-13-11(2)22-26-12(13)3/h5-7H,4,8-10H2,1-3H3,(H,21,24).
What are the key properties of N-(2,6-difluorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide?
N-(2,6-difluorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide has a molecular weight of 397.45 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide is sourced from PubChem (CID 24979760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).