3-fluoro-4-methyl-N-[2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]ethyl]benzamide

C16H19FN4O3S — CID 55793071

IUPAC3-fluoro-4-methyl-N-[2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]ethyl]benzamide
SMILESCc1nc(CSCC(=O)NCCNC(=O)c2ccc(C)c(F)c2)no1
InChIInChI=1S/C16H19FN4O3S/c1-10-3-4-12(7-13(10)17)16(23)19-6-5-18-15(22)9-25-8-14-20-11(2)24-21-14/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyGHKBYQLYTREUHN-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.60
Rot. Bonds8

About 3-fluoro-4-methyl-N-[2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]ethyl]benzamide

3-fluoro-4-methyl-N-[2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]ethyl]benzamide (PubChem CID 55793071) has the molecular formula C16H19FN4O3S and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]ethyl]benzamide
PubChem CID55793071
Molecular FormulaC16H19FN4O3S
Molecular Weight366.42 g/mol
Exact Mass366.12
IUPAC Name3-fluoro-4-methyl-N-[2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]ethyl]benzamide
SMILESCc1nc(CSCC(=O)NCCNC(=O)c2ccc(C)c(F)c2)no1
InChIInChI=1S/C16H19FN4O3S/c1-10-3-4-12(7-13(10)17)16(23)19-6-5-18-15(22)9-25-8-14-20-11(2)24-21-14/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyGHKBYQLYTREUHN-UHFFFAOYSA-N
XLogP1.60
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-methyl-N-[2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]ethyl]benzamide
CID 55545871
4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 102978698
3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide
CID 35350643
3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide
CID 51108496
4-fluoro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103820316
3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46482309
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
3-fluoro-4-methyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 33321522
N-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide
CID 47071758
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 35350696
4-(2-aminoethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106415935

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]ethyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]ethyl]benzamide (CID 55793071) is 3-fluoro-4-methyl-N-[2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]ethyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]ethyl]benzamide is Cc1nc(CSCC(=O)NCCNC(=O)c2ccc(C)c(F)c2)no1.
What is the InChIKey of 3-fluoro-4-methyl-N-[2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]ethyl]benzamide?
The InChIKey is GHKBYQLYTREUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3S/c1-10-3-4-12(7-13(10)17)16(23)19-6-5-18-15(22)9-25-8-14-20-11(2)24-21-14/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of 3-fluoro-4-methyl-N-[2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]ethyl]benzamide?
3-fluoro-4-methyl-N-[2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]ethyl]benzamide has a molecular weight of 366.42 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 55793071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).