N-(2-cyclohexylsulfanylethyl)-3-(morpholin-4-ylmethyl)benzamide

C20H30N2O2S — CID 92682584

IUPACN-(2-cyclohexylsulfanylethyl)-3-(morpholin-4-ylmethyl)benzamide
SMILESO=C(NCCSC1CCCCC1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C20H30N2O2S/c23-20(21-9-14-25-19-7-2-1-3-8-19)18-6-4-5-17(15-18)16-22-10-12-24-13-11-22/h4-6,15,19H,1-3,7-14,16H2,(H,21,23)
InChIKeyTUFZKZGVCGTAKZ-UHFFFAOYSA-N
MW362.54 g/mol
LogP3.31
Rot. Bonds7

About N-(2-cyclohexylsulfanylethyl)-3-(morpholin-4-ylmethyl)benzamide

N-(2-cyclohexylsulfanylethyl)-3-(morpholin-4-ylmethyl)benzamide (PubChem CID 92682584) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylethyl)-3-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylethyl)-3-(morpholin-4-ylmethyl)benzamide
PubChem CID92682584
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC NameN-(2-cyclohexylsulfanylethyl)-3-(morpholin-4-ylmethyl)benzamide
SMILESO=C(NCCSC1CCCCC1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C20H30N2O2S/c23-20(21-9-14-25-19-7-2-1-3-8-19)18-6-4-5-17(15-18)16-22-10-12-24-13-11-22/h4-6,15,19H,1-3,7-14,16H2,(H,21,23)
InChIKeyTUFZKZGVCGTAKZ-UHFFFAOYSA-N
XLogP3.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-3-(morpholin-4-ylmethyl)benzamide
CID 46772184
3-(morpholin-4-ylmethyl)-N-pentylbenzamide
CID 92685635
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-(morpholin-4-ylmethyl)benzamide
CID 92677932
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
N-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide
CID 32541665
N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 120827373
tert-butyl N-[[1-[3-(morpholin-4-ylmethyl)benzoyl]piperidin-2-yl]methyl]carbamate
CID 56539223
3-(azepan-1-ylmethyl)-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide
CID 118780768
3-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 46778635
3-(morpholin-4-ylmethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 95237190
N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 46769268

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylsulfanylethyl)-3-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-(2-cyclohexylsulfanylethyl)-3-(morpholin-4-ylmethyl)benzamide (CID 92682584) is N-(2-cyclohexylsulfanylethyl)-3-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-(2-cyclohexylsulfanylethyl)-3-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-(2-cyclohexylsulfanylethyl)-3-(morpholin-4-ylmethyl)benzamide is O=C(NCCSC1CCCCC1)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of N-(2-cyclohexylsulfanylethyl)-3-(morpholin-4-ylmethyl)benzamide?
The InChIKey is TUFZKZGVCGTAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c23-20(21-9-14-25-19-7-2-1-3-8-19)18-6-4-5-17(15-18)16-22-10-12-24-13-11-22/h4-6,15,19H,1-3,7-14,16H2,(H,21,23).
What are the key properties of N-(2-cyclohexylsulfanylethyl)-3-(morpholin-4-ylmethyl)benzamide?
N-(2-cyclohexylsulfanylethyl)-3-(morpholin-4-ylmethyl)benzamide has a molecular weight of 362.54 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfanylethyl)-3-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 92682584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).