N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride

C18H29ClN2O4S — CID 119475958

IUPACN-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(OCCCCC(=O)NC2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C18H28N2O4S.ClH/c1-25(22,23)17-11-9-16(10-12-17)24-13-3-2-4-18(21)20-15-7-5-14(19)6-8-15;/h9-12,14-15H,2-8,13,19H2,1H3,(H,20,21);1H
InChIKeyZSWHZCVQFHMISP-UHFFFAOYSA-N
MW404.96 g/mol
LogP2.45
Rot. Bonds8

About N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride

N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride (PubChem CID 119475958) has the molecular formula C18H29ClN2O4S and a molecular weight of 404.96 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride
PubChem CID119475958
Molecular FormulaC18H29ClN2O4S
Molecular Weight404.96 g/mol
Exact Mass404.15
IUPAC NameN-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(OCCCCC(=O)NC2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C18H28N2O4S.ClH/c1-25(22,23)17-11-9-16(10-12-17)24-13-3-2-4-18(21)20-15-7-5-14(19)6-8-15;/h9-12,14-15H,2-8,13,19H2,1H3,(H,20,21);1H
InChIKeyZSWHZCVQFHMISP-UHFFFAOYSA-N
XLogP2.45
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.96
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide
CID 119475959
5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119451061
4-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylbutanamide
CID 119454241
N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride
CID 120575876
N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
CID 119474575
4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide
CID 119476133
5-(4-methylsulfonylphenoxy)-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
CID 119534985
N-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119476012
N-(2-amino-1-cyclohexylethyl)-4-(4-methylsulfonylphenoxy)butanamide;hydrochloride
CID 119592068
5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide
CID 119461425
N-methylsulfonyl-4-(4-methylsulfonylphenoxy)butanamide
CID 56800043
N-(4-aminocyclohexyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119474987

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride (CID 119475958) is N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride is CS(=O)(=O)c1ccc(OCCCCC(=O)NC2CCC(N)CC2)cc1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride?
The InChIKey is ZSWHZCVQFHMISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S.ClH/c1-25(22,23)17-11-9-16(10-12-17)24-13-3-2-4-18(21)20-15-7-5-14(19)6-8-15;/h9-12,14-15H,2-8,13,19H2,1H3,(H,20,21);1H.
What are the key properties of N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride?
N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride has a molecular weight of 404.96 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride is sourced from PubChem (CID 119475958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).