N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide

C16H25NO3S — CID 75870203

IUPACN-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
SMILESCCCCCC(=O)N(C)C(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H25NO3S/c1-5-6-7-8-16(18)17(3)13(2)14-9-11-15(12-10-14)21(4,19)20/h9-13H,5-8H2,1-4H3
InChIKeyRMWRWZMRXKFNCD-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.19
Rot. Bonds7

About N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide

N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide (PubChem CID 75870203) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
PubChem CID75870203
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
SMILESCCCCCC(=O)N(C)C(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H25NO3S/c1-5-6-7-8-16(18)17(3)13(2)14-9-11-15(12-10-14)21(4,19)20/h9-13H,5-8H2,1-4H3
InChIKeyRMWRWZMRXKFNCD-UHFFFAOYSA-N
XLogP3.19
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide
CID 54912821
N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide
CID 61042848
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide
CID 75870195
(2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 124682679
N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide
CID 86918334
N-methyl-4-(4-methylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]butanamide
CID 94815849
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 55551706
2-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 75870188
N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 95282708
1-(4-methylsulfonylphenyl)heptan-1-ol
CID 115783500
N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 39976465

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide?
The IUPAC name of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide (CID 75870203) is N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide.
What is the SMILES notation for N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide?
The canonical SMILES for N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide is CCCCCC(=O)N(C)C(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide?
The InChIKey is RMWRWZMRXKFNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-5-6-7-8-16(18)17(3)13(2)14-9-11-15(12-10-14)21(4,19)20/h9-13H,5-8H2,1-4H3.
What are the key properties of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide?
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide has a molecular weight of 311.45 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide is sourced from PubChem (CID 75870203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).