N-(cyclohexylmethyl)-2-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]acetamide

C23H35NO2S — CID 142228243

IUPACN-(cyclohexylmethyl)-2-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]acetamide
SMILESCOc1ccc(CSC2(CC(=O)NCC3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C23H35NO2S/c1-26-21-12-10-20(11-13-21)18-27-23(14-6-3-7-15-23)16-22(25)24-17-19-8-4-2-5-9-19/h10-13,19H,2-9,14-18H2,1H3,(H,24,25)
InChIKeyLIMICIHZOPULAJ-UHFFFAOYSA-N
MW389.61 g/mol
LogP5.72
Rot. Bonds8

About N-(cyclohexylmethyl)-2-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]acetamide

N-(cyclohexylmethyl)-2-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]acetamide (PubChem CID 142228243) has the molecular formula C23H35NO2S and a molecular weight of 389.61 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]acetamide
PubChem CID142228243
Molecular FormulaC23H35NO2S
Molecular Weight389.61 g/mol
Exact Mass389.24
IUPAC NameN-(cyclohexylmethyl)-2-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]acetamide
SMILESCOc1ccc(CSC2(CC(=O)NCC3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C23H35NO2S/c1-26-21-12-10-20(11-13-21)18-27-23(14-6-3-7-15-23)16-22(25)24-17-19-8-4-2-5-9-19/h10-13,19H,2-9,14-18H2,1H3,(H,24,25)
InChIKeyLIMICIHZOPULAJ-UHFFFAOYSA-N
XLogP5.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.61
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[(4-methoxyphenyl)methylsulfanyl]cyclopentane-1-carboxylate
CID 15814381
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365131
1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 140694545
1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396506
N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279549
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide
CID 965816
N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 111428672
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 114317378
N-[(4-bromocyclohexyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 106134334
1-(4-methoxyphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 95214855
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]acetamide (CID 142228243) is N-(cyclohexylmethyl)-2-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]acetamide is COc1ccc(CSC2(CC(=O)NCC3CCCCC3)CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]acetamide?
The InChIKey is LIMICIHZOPULAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO2S/c1-26-21-12-10-20(11-13-21)18-27-23(14-6-3-7-15-23)16-22(25)24-17-19-8-4-2-5-9-19/h10-13,19H,2-9,14-18H2,1H3,(H,24,25).
What are the key properties of N-(cyclohexylmethyl)-2-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]acetamide?
N-(cyclohexylmethyl)-2-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]acetamide has a molecular weight of 389.61 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]acetamide is sourced from PubChem (CID 142228243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).