N-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide

C18H27NO3S — CID 134001401

IUPACN-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
SMILESCOc1ccc(OCCSCCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H27NO3S/c1-21-16-7-9-17(10-8-16)22-12-14-23-13-11-18(20)19-15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3,(H,19,20)
InChIKeyKVAGLGXIKIJZHK-UHFFFAOYSA-N
MW337.48 g/mol
LogP3.65
Rot. Bonds9

About N-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide

N-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide (PubChem CID 134001401) has the molecular formula C18H27NO3S and a molecular weight of 337.48 g/mol. Its IUPAC name is N-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
PubChem CID134001401
Molecular FormulaC18H27NO3S
Molecular Weight337.48 g/mol
Exact Mass337.17
IUPAC NameN-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
SMILESCOc1ccc(OCCSCCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H27NO3S/c1-21-16-7-9-17(10-8-16)22-12-14-23-13-11-18(20)19-15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3,(H,19,20)
InChIKeyKVAGLGXIKIJZHK-UHFFFAOYSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.48
LogP ≤ 53.65
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-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide
CID 55951561
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide
CID 113122371
N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
CID 60541932
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279549
N-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methoxyphenoxy)propanamide
CID 104927572
3-(4-chlorophenoxy)-N-cyclopentylpropanamide
CID 108790008
3-(4-methoxyphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424848
[2-(cyclopropylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147385
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
N-(3-isothiocyanatocyclobutyl)-3-(4-methoxyphenoxy)propanamide
CID 146249092

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide?
The IUPAC name of N-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide (CID 134001401) is N-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide is COc1ccc(OCCSCCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide?
The InChIKey is KVAGLGXIKIJZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3S/c1-21-16-7-9-17(10-8-16)22-12-14-23-13-11-18(20)19-15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3,(H,19,20).
What are the key properties of N-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide?
N-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide has a molecular weight of 337.48 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide is sourced from PubChem (CID 134001401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).