4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide

C19H23NO3S — CID 86821054

IUPAC4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide
SMILESCS(=O)c1ccc(C(=O)NCCCOCCc2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-24(22)18-10-8-17(9-11-18)19(21)20-13-5-14-23-15-12-16-6-3-2-4-7-16/h2-4,6-11H,5,12-15H2,1H3,(H,20,21)
InChIKeyQXQCESQEFGIVTM-UHFFFAOYSA-N
MW345.46 g/mol
LogP2.80
Rot. Bonds9

About 4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide

4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide (PubChem CID 86821054) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide.

Molecular Properties

Compound Name4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide
PubChem CID86821054
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide
SMILESCS(=O)c1ccc(C(=O)NCCCOCCc2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-24(22)18-10-8-17(9-11-18)19(21)20-13-5-14-23-15-12-16-6-3-2-4-7-16/h2-4,6-11H,5,12-15H2,1H3,(H,20,21)
InChIKeyQXQCESQEFGIVTM-UHFFFAOYSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55863487
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119739690
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
(2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide
CID 119298276
2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119944824
N-[6-(2-phenylethoxy)hexyl]acetamide
CID 67657412
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid
CID 103790262
5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide
CID 47060838
4-[3-(5-methylsulfinyl-2-phenylmethoxyphenyl)propyl]-N-propylbenzamide
CID 18974112

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide?
The IUPAC name of 4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide (CID 86821054) is 4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide.
What is the SMILES notation for 4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide?
The canonical SMILES for 4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide is CS(=O)c1ccc(C(=O)NCCCOCCc2ccccc2)cc1.
What is the InChIKey of 4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide?
The InChIKey is QXQCESQEFGIVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-24(22)18-10-8-17(9-11-18)19(21)20-13-5-14-23-15-12-16-6-3-2-4-7-16/h2-4,6-11H,5,12-15H2,1H3,(H,20,21).
What are the key properties of 4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide?
4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide has a molecular weight of 345.46 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide is sourced from PubChem (CID 86821054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).