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

C18H28N2O4S — CID 119475959

IUPACN-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide
SMILESCS(=O)(=O)c1ccc(OCCCCC(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C18H28N2O4S/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)
InChIKeyNGTQOTBCKOLXDB-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.03
Rot. Bonds8

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

N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide (PubChem CID 119475959) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide
PubChem CID119475959
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide
SMILESCS(=O)(=O)c1ccc(OCCCCC(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C18H28N2O4S/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)
InChIKeyNGTQOTBCKOLXDB-UHFFFAOYSA-N
XLogP2.03
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.03
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;hydrochloride
CID 119475958
5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119451061
4-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylbutanamide
CID 119454241
4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide
CID 119476133
N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride
CID 120575876
5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide
CID 119461425
N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
CID 119474575
N-methylsulfonyl-4-(4-methylsulfonylphenoxy)butanamide
CID 56800043
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
4-[4-(4-methylsulfonylphenoxy)butanoylamino]butanoic acid
CID 119170534

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide (CID 119475959) is N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide is CS(=O)(=O)c1ccc(OCCCCC(=O)NC2CCC(N)CC2)cc1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide?
The InChIKey is NGTQOTBCKOLXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/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).
What are the key properties of N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide?
N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide has a molecular weight of 368.50 g/mol, XLogP of 2.03, 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 is sourced from PubChem (CID 119475959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).