3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide

C18H22N2OS — CID 24818355

IUPAC3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
SMILESCN(C)c1cccc(C(=O)NCCCSc2ccccc2)c1
InChIInChI=1S/C18H22N2OS/c1-20(2)16-9-6-8-15(14-16)18(21)19-12-7-13-22-17-10-4-3-5-11-17/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,19,21)
InChIKeyUTDJXJOGVPWDEX-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.66
Rot. Bonds7

About 3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide

3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide (PubChem CID 24818355) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
PubChem CID24818355
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
SMILESCN(C)c1cccc(C(=O)NCCCSc2ccccc2)c1
InChIInChI=1S/C18H22N2OS/c1-20(2)16-9-6-8-15(14-16)18(21)19-12-7-13-22-17-10-4-3-5-11-17/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,19,21)
InChIKeyUTDJXJOGVPWDEX-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.66
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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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide (CID 24818355) is 3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide is CN(C)c1cccc(C(=O)NCCCSc2ccccc2)c1.
What is the InChIKey of 3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide?
The InChIKey is UTDJXJOGVPWDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-20(2)16-9-6-8-15(14-16)18(21)19-12-7-13-22-17-10-4-3-5-11-17/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,19,21).
What are the key properties of 3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide?
3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide has a molecular weight of 314.45 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide is sourced from PubChem (CID 24818355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).