2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide

C22H32N2O2S — CID 9214809

IUPAC2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide
SMILESO=C(CSc1ccccc1C(=O)NC1CCCC1)NC1CCCCCCC1
InChIInChI=1S/C22H32N2O2S/c25-21(23-17-10-4-2-1-3-5-11-17)16-27-20-15-9-8-14-19(20)22(26)24-18-12-6-7-13-18/h8-9,14-15,17-18H,1-7,10-13,16H2,(H,23,25)(H,24,26)
InChIKeyYPTGQTCFDMXOSX-UHFFFAOYSA-N
MW388.58 g/mol
LogP4.68
Rot. Bonds6

About 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide

2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide (PubChem CID 9214809) has the molecular formula C22H32N2O2S and a molecular weight of 388.58 g/mol. Its IUPAC name is 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide.

Molecular Properties

Compound Name2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide
PubChem CID9214809
Molecular FormulaC22H32N2O2S
Molecular Weight388.58 g/mol
Exact Mass388.22
IUPAC Name2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide
SMILESO=C(CSc1ccccc1C(=O)NC1CCCC1)NC1CCCCCCC1
InChIInChI=1S/C22H32N2O2S/c25-21(23-17-10-4-2-1-3-5-11-17)16-27-20-15-9-8-14-19(20)22(26)24-18-12-6-7-13-18/h8-9,14-15,17-18H,1-7,10-13,16H2,(H,23,25)(H,24,26)
InChIKeyYPTGQTCFDMXOSX-UHFFFAOYSA-N
XLogP4.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-2-oxoethyl)sulfanyl-N-cyclopentylbenzamide
CID 37345038
N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
CID 46449832
N-cyclopropyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 9165626
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(2-fluorophenyl)methyl]benzamide
CID 4856609
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
CID 9481807
2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 86945369
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 4791296
2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-pyrrolidin-3-ylbenzamide
CID 119450088
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide
CID 86846279
2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450087
N-cyclopentyl-2-(2-methoxyphenyl)sulfanylacetamide
CID 52772357

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide?
The IUPAC name of 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide (CID 9214809) is 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide.
What is the SMILES notation for 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide?
The canonical SMILES for 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide is O=C(CSc1ccccc1C(=O)NC1CCCC1)NC1CCCCCCC1.
What is the InChIKey of 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide?
The InChIKey is YPTGQTCFDMXOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2S/c25-21(23-17-10-4-2-1-3-5-11-17)16-27-20-15-9-8-14-19(20)22(26)24-18-12-6-7-13-18/h8-9,14-15,17-18H,1-7,10-13,16H2,(H,23,25)(H,24,26).
What are the key properties of 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide?
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide has a molecular weight of 388.58 g/mol, XLogP of 4.68, 6 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-cyclopentylbenzamide is sourced from PubChem (CID 9214809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).