2-(2-phenoxyethoxy)-N-[3-(2-sulfanylpropyl)phenyl]benzamide

C24H25NO3S — CID 139322954

IUPAC2-(2-phenoxyethoxy)-N-[3-(2-sulfanylpropyl)phenyl]benzamide
SMILESCC(S)Cc1cccc(NC(=O)c2ccccc2OCCOc2ccccc2)c1
InChIInChI=1S/C24H25NO3S/c1-18(29)16-19-8-7-9-20(17-19)25-24(26)22-12-5-6-13-23(22)28-15-14-27-21-10-3-2-4-11-21/h2-13,17-18,29H,14-16H2,1H3,(H,25,26)
InChIKeyJGMKJRRDFBSRNK-UHFFFAOYSA-N
MW407.54 g/mol
LogP5.26
Rot. Bonds9

About 2-(2-phenoxyethoxy)-N-[3-(2-sulfanylpropyl)phenyl]benzamide

2-(2-phenoxyethoxy)-N-[3-(2-sulfanylpropyl)phenyl]benzamide (PubChem CID 139322954) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)-N-[3-(2-sulfanylpropyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)-N-[3-(2-sulfanylpropyl)phenyl]benzamide
PubChem CID139322954
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC Name2-(2-phenoxyethoxy)-N-[3-(2-sulfanylpropyl)phenyl]benzamide
SMILESCC(S)Cc1cccc(NC(=O)c2ccccc2OCCOc2ccccc2)c1
InChIInChI=1S/C24H25NO3S/c1-18(29)16-19-8-7-9-20(17-19)25-24(26)22-12-5-6-13-23(22)28-15-14-27-21-10-3-2-4-11-21/h2-13,17-18,29H,14-16H2,1H3,(H,25,26)
InChIKeyJGMKJRRDFBSRNK-UHFFFAOYSA-N
XLogP5.26
TPSA47.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.54
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
2-(2-phenylethoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154818
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142197
N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide
CID 39574397
N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 28638908
N-naphthalen-2-yl-2-(2-phenoxyethoxy)benzamide
CID 17231987
2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17130494
2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096753
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
N-(4-ethoxyphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954273
2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 17086084

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)-N-[3-(2-sulfanylpropyl)phenyl]benzamide?
The IUPAC name of 2-(2-phenoxyethoxy)-N-[3-(2-sulfanylpropyl)phenyl]benzamide (CID 139322954) is 2-(2-phenoxyethoxy)-N-[3-(2-sulfanylpropyl)phenyl]benzamide.
What is the SMILES notation for 2-(2-phenoxyethoxy)-N-[3-(2-sulfanylpropyl)phenyl]benzamide?
The canonical SMILES for 2-(2-phenoxyethoxy)-N-[3-(2-sulfanylpropyl)phenyl]benzamide is CC(S)Cc1cccc(NC(=O)c2ccccc2OCCOc2ccccc2)c1.
What is the InChIKey of 2-(2-phenoxyethoxy)-N-[3-(2-sulfanylpropyl)phenyl]benzamide?
The InChIKey is JGMKJRRDFBSRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3S/c1-18(29)16-19-8-7-9-20(17-19)25-24(26)22-12-5-6-13-23(22)28-15-14-27-21-10-3-2-4-11-21/h2-13,17-18,29H,14-16H2,1H3,(H,25,26).
What are the key properties of 2-(2-phenoxyethoxy)-N-[3-(2-sulfanylpropyl)phenyl]benzamide?
2-(2-phenoxyethoxy)-N-[3-(2-sulfanylpropyl)phenyl]benzamide has a molecular weight of 407.54 g/mol, XLogP of 5.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)-N-[3-(2-sulfanylpropyl)phenyl]benzamide is sourced from PubChem (CID 139322954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).