2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide

C17H19NO5S — CID 51097857

IUPAC2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide
SMILESCS(=O)(=O)c1ccc(OCCCOc2ccccc2C(N)=O)cc1
InChIInChI=1S/C17H19NO5S/c1-24(20,21)14-9-7-13(8-10-14)22-11-4-12-23-16-6-3-2-5-15(16)17(18)19/h2-3,5-10H,4,11-12H2,1H3,(H2,18,19)
InChIKeyZZJVDBQHFCVPJO-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.04
Rot. Bonds8

About 2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide

2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide (PubChem CID 51097857) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide.

Molecular Properties

Compound Name2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide
PubChem CID51097857
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide
SMILESCS(=O)(=O)c1ccc(OCCCOc2ccccc2C(N)=O)cc1
InChIInChI=1S/C17H19NO5S/c1-24(20,21)14-9-7-13(8-10-14)22-11-4-12-23-16-6-3-2-5-15(16)17(18)19/h2-3,5-10H,4,11-12H2,1H3,(H2,18,19)
InChIKeyZZJVDBQHFCVPJO-UHFFFAOYSA-N
XLogP2.04
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-methylsulfonylphenoxy)propoxy]-2-phenylbenzene
CID 60600276
methyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate
CID 47056930
2-(methylsulfonylmethoxy)benzamide
CID 118665617
2-[3-(3-aminophenoxy)propoxy]benzamide
CID 43174426
2-(4-methoxybutoxy)benzamide;dihydrochloride
CID 140972471
(2-carbamoylphenyl) 4-(4-ethoxyphenoxy)benzenesulfonate
CID 8933235
2-(4-amino-4-sulfanylidenebutoxy)benzamide
CID 24698755
1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone
CID 2284019
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
2-butoxy-5-methylsulfonylbenzenecarbothioamide
CID 23503178
2-amino-4-(4-methylsulfonylphenoxy)butanamide
CID 63035136
6-(4-methylsulfonylphenoxy)hexan-1-ol
CID 107705402

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide?
The IUPAC name of 2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide (CID 51097857) is 2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide.
What is the SMILES notation for 2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide?
The canonical SMILES for 2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide is CS(=O)(=O)c1ccc(OCCCOc2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide?
The InChIKey is ZZJVDBQHFCVPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-24(20,21)14-9-7-13(8-10-14)22-11-4-12-23-16-6-3-2-5-15(16)17(18)19/h2-3,5-10H,4,11-12H2,1H3,(H2,18,19).
What are the key properties of 2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide?
2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide has a molecular weight of 349.41 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide is sourced from PubChem (CID 51097857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).