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

C18H22N2OS — CID 24686106

IUPAC4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
SMILESCN(C)c1ccc(C(=O)NCCCSc2ccccc2)cc1
InChIInChI=1S/C18H22N2OS/c1-20(2)16-11-9-15(10-12-16)18(21)19-13-6-14-22-17-7-4-3-5-8-17/h3-5,7-12H,6,13-14H2,1-2H3,(H,19,21)
InChIKeyCJXLVJDKLNNNIU-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.66
Rot. Bonds7

About 4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide

4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide (PubChem CID 24686106) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
PubChem CID24686106
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
SMILESCN(C)c1ccc(C(=O)NCCCSc2ccccc2)cc1
InChIInChI=1S/C18H22N2OS/c1-20(2)16-11-9-15(10-12-16)18(21)19-13-6-14-22-17-7-4-3-5-8-17/h3-5,7-12H,6,13-14H2,1-2H3,(H,19,21)
InChIKeyCJXLVJDKLNNNIU-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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Related Compounds

N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
4-(methylsulfonylmethyl)-N-(3-phenylsulfanylpropyl)benzamide
CID 26352356
N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide
CID 26352441
4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide
CID 92664129
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
4-(dimethylamino)-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 108540008
N-(3-phenylsulfanylpropyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9156837
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 24552546

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide (CID 24686106) is 4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide is CN(C)c1ccc(C(=O)NCCCSc2ccccc2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide?
The InChIKey is CJXLVJDKLNNNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-20(2)16-11-9-15(10-12-16)18(21)19-13-6-14-22-17-7-4-3-5-8-17/h3-5,7-12H,6,13-14H2,1-2H3,(H,19,21).
What are the key properties of 4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide?
4-(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 4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide is sourced from PubChem (CID 24686106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).