2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(2-fluorophenyl)methyl]benzamide

C24H29FN2O2S — CID 4856609

IUPAC2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(CSc1ccccc1C(=O)NCc1ccccc1F)NC1CCCCCCC1
InChIInChI=1S/C24H29FN2O2S/c25-21-14-8-6-10-18(21)16-26-24(29)20-13-7-9-15-22(20)30-17-23(28)27-19-11-4-2-1-3-5-12-19/h6-10,13-15,19H,1-5,11-12,16-17H2,(H,26,29)(H,27,28)
InChIKeyKPAKEMDFSSUFKQ-UHFFFAOYSA-N
MW428.57 g/mol
LogP5.08
Rot. Bonds7

About 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(2-fluorophenyl)methyl]benzamide

2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 4856609) has the molecular formula C24H29FN2O2S and a molecular weight of 428.57 g/mol. Its IUPAC name is 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID4856609
Molecular FormulaC24H29FN2O2S
Molecular Weight428.57 g/mol
Exact Mass428.19
IUPAC Name2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(CSc1ccccc1C(=O)NCc1ccccc1F)NC1CCCCCCC1
InChIInChI=1S/C24H29FN2O2S/c25-21-14-8-6-10-18(21)16-26-24(29)20-13-7-9-15-22(20)30-17-23(28)27-19-11-4-2-1-3-5-12-19/h6-10,13-15,19H,1-5,11-12,16-17H2,(H,26,29)(H,27,28)
InChIKeyKPAKEMDFSSUFKQ-UHFFFAOYSA-N
XLogP5.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.57
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide
CID 9214809
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 86945369
3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051825
N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020883
2-(2-amino-2-oxoethyl)sulfanyl-N-cyclopentylbenzamide
CID 37345038
N-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 119384780
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide
CID 86846279
3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide
CID 42482348
N-cyclopentyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109013439
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
CID 9481807
N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-methylbenzamide
CID 126073381
N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
CID 46449832

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(2-fluorophenyl)methyl]benzamide (CID 4856609) is 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(2-fluorophenyl)methyl]benzamide is O=C(CSc1ccccc1C(=O)NCc1ccccc1F)NC1CCCCCCC1.
What is the InChIKey of 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is KPAKEMDFSSUFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2S/c25-21-14-8-6-10-18(21)16-26-24(29)20-13-7-9-15-22(20)30-17-23(28)27-19-11-4-2-1-3-5-12-19/h6-10,13-15,19H,1-5,11-12,16-17H2,(H,26,29)(H,27,28).
What are the key properties of 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(2-fluorophenyl)methyl]benzamide?
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 428.57 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 4856609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).