2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(3-methylbutyl)benzamide

C22H34N2O2S — CID 4785965

IUPAC2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1
InChIInChI=1S/C22H34N2O2S/c1-17(2)14-15-23-22(26)19-12-8-9-13-20(19)27-16-21(25)24-18-10-6-4-3-5-7-11-18/h8-9,12-13,17-18H,3-7,10-11,14-16H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyHWCYGJQNQRFSGV-UHFFFAOYSA-N
MW390.59 g/mol
LogP4.78
Rot. Bonds8

About 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(3-methylbutyl)benzamide

2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(3-methylbutyl)benzamide (PubChem CID 4785965) has the molecular formula C22H34N2O2S and a molecular weight of 390.59 g/mol. Its IUPAC name is 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(3-methylbutyl)benzamide
PubChem CID4785965
Molecular FormulaC22H34N2O2S
Molecular Weight390.59 g/mol
Exact Mass390.23
IUPAC Name2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1
InChIInChI=1S/C22H34N2O2S/c1-17(2)14-15-23-22(26)19-12-8-9-13-20(19)27-16-21(25)24-18-10-6-4-3-5-7-11-18/h8-9,12-13,17-18H,3-7,10-11,14-16H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyHWCYGJQNQRFSGV-UHFFFAOYSA-N
XLogP4.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.59
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(sec-butyl)-2-(methylthio)benzamide
CID 2962961
N-(1-methylbutyl)-2-(methylthio)benzamide
CID 2981526
N-[5-(hydroxyamino)-5-oxopentyl]-2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzamide
CID 168298515
N-(2-methylbenzyl)-2-(methylthio)benzamide
CID 2223490
2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 2985265
S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-(2-bromoethyl)carbamothioate
CID 403783
S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-pentylcarbamothioate
CID 404013
S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-hexylcarbamothioate
CID 404015
S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-octylcarbamothioate
CID 404017
S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-isopropylcarbamothioate
CID 404019
S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-tert-butylcarbamothioate
CID 404021
S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-cyclohexylcarbamothioate
CID 404022

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(3-methylbutyl)benzamide?
The IUPAC name of 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(3-methylbutyl)benzamide (CID 4785965) is 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(3-methylbutyl)benzamide?
The canonical SMILES for 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1.
What is the InChIKey of 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(3-methylbutyl)benzamide?
The InChIKey is HWCYGJQNQRFSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2S/c1-17(2)14-15-23-22(26)19-12-8-9-13-20(19)27-16-21(25)24-18-10-6-4-3-5-7-11-18/h8-9,12-13,17-18H,3-7,10-11,14-16H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(3-methylbutyl)benzamide?
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(3-methylbutyl)benzamide has a molecular weight of 390.59 g/mol, XLogP of 4.78, 8 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-(3-methylbutyl)benzamide is sourced from PubChem (CID 4785965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).