2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]benzamide

C23H30N2O3S — CID 9481807

IUPAC2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1)c1ccco1
InChIInChI=1S/C23H30N2O3S/c1-17(20-13-9-15-28-20)24-23(27)19-12-7-8-14-21(19)29-16-22(26)25-18-10-5-3-2-4-6-11-18/h7-9,12-15,17-18H,2-6,10-11,16H2,1H3,(H,24,27)(H,25,26)/t17-/m1/s1
InChIKeyZXHPLEFPGNCBFC-QGZVFWFLSA-N
MW414.57 g/mol
LogP5.09
Rot. Bonds7

About 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]benzamide

2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]benzamide (PubChem CID 9481807) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
PubChem CID9481807
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1)c1ccco1
InChIInChI=1S/C23H30N2O3S/c1-17(20-13-9-15-28-20)24-23(27)19-12-7-8-14-21(19)29-16-22(26)25-18-10-5-3-2-4-6-11-18/h7-9,12-15,17-18H,2-6,10-11,16H2,1H3,(H,24,27)(H,25,26)/t17-/m1/s1
InChIKeyZXHPLEFPGNCBFC-QGZVFWFLSA-N
XLogP5.09
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide
CID 9214809
N-cyclopropyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 9165626
2-(cyclopentylamino)-N-[1-(furan-2-yl)ethyl]acetamide
CID 60686918
2-(2-fluorophenyl)sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 95279801
N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
CID 46449832
5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 42209955
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(2-fluorophenyl)methyl]benzamide
CID 4856609
N-(2-amino-1-cyclohexylethyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide;hydrochloride
CID 119589366
2-(2-amino-2-oxoethyl)sulfanyl-N-cyclopentylbenzamide
CID 37345038
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 4791296
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 86945369

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]benzamide (CID 9481807) is 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]benzamide is C[C@@H](NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1)c1ccco1.
What is the InChIKey of 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]benzamide?
The InChIKey is ZXHPLEFPGNCBFC-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-17(20-13-9-15-28-20)24-23(27)19-12-7-8-14-21(19)29-16-22(26)25-18-10-5-3-2-4-6-11-18/h7-9,12-15,17-18H,2-6,10-11,16H2,1H3,(H,24,27)(H,25,26)/t17-/m1/s1.
What are the key properties of 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]benzamide?
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]benzamide has a molecular weight of 414.57 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 9481807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).