N-[2-(4-methoxyphenoxy)ethyl]-1-phenylmethanesulfonamide

C16H19NO4S — CID 2317140

IUPACN-[2-(4-methoxyphenoxy)ethyl]-1-phenylmethanesulfonamide
SMILESCOc1ccc(OCCNS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO4S/c1-20-15-7-9-16(10-8-15)21-12-11-17-22(18,19)13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3
InChIKeyZTADQMIBGLGDBE-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.19
Rot. Bonds8

About N-[2-(4-methoxyphenoxy)ethyl]-1-phenylmethanesulfonamide

N-[2-(4-methoxyphenoxy)ethyl]-1-phenylmethanesulfonamide (PubChem CID 2317140) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-1-phenylmethanesulfonamide
PubChem CID2317140
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-1-phenylmethanesulfonamide
SMILESCOc1ccc(OCCNS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO4S/c1-20-15-7-9-16(10-8-15)21-12-11-17-22(18,19)13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3
InChIKeyZTADQMIBGLGDBE-UHFFFAOYSA-N
XLogP2.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.19
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

2-Phenyl-ethenesulfonic acid 4-benzyloxy-phenyl ester
CID 6027581
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzenesulfonamide
CID 2812345
4-ethyl-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
CID 2812346
N-[2-(2-methylphenoxy)ethyl]-4-(methylthio)benzenesulfonamide
CID 2195327
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 2231172
{2-[2-(Methylethyl)phenoxy]ethyl}(methylsulfonyl)amine
CID 2298222
4-(4-Phenylmethoxyphenoxy)butane-1-sulfonyl fluoride
CID 71452048
5-ethyl-2-methoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 1811250
1-(2-chlorophenyl)-N-(2-phenoxyethyl)methanesulfonamide
CID 2225855
[2-(4-Methoxyphenoxy)ethyl](phenylsulfonyl)amine
CID 2266358
lithium [(2R)-2-(decylsulfonylamino)-3-[(3-phenoxyphenyl)methoxy]propyl] methyl phosphate
CID 44523278
2,4,6-trimethyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 8401563

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-1-phenylmethanesulfonamide (CID 2317140) is N-[2-(4-methoxyphenoxy)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-1-phenylmethanesulfonamide is COc1ccc(OCCNS(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is ZTADQMIBGLGDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-20-15-7-9-16(10-8-15)21-12-11-17-22(18,19)13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-1-phenylmethanesulfonamide?
N-[2-(4-methoxyphenoxy)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 2317140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).