4-(1,3-dithian-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide

C18H20N2OS2 — CID 35941522

IUPAC4-(1,3-dithian-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccccn1
InChIInChI=1S/C18H20N2OS2/c1-13(16-5-2-3-10-19-16)20-17(21)14-6-8-15(9-7-14)18-22-11-4-12-23-18/h2-3,5-10,13,18H,4,11-12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyDAQYWJBWNNZCID-CYBMUJFWSA-N
MW344.51 g/mol
LogP4.44
Rot. Bonds4

About 4-(1,3-dithian-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide

4-(1,3-dithian-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide (PubChem CID 35941522) has the molecular formula C18H20N2OS2 and a molecular weight of 344.51 g/mol. Its IUPAC name is 4-(1,3-dithian-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-(1,3-dithian-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
PubChem CID35941522
Molecular FormulaC18H20N2OS2
Molecular Weight344.51 g/mol
Exact Mass344.10
IUPAC Name4-(1,3-dithian-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccccn1
InChIInChI=1S/C18H20N2OS2/c1-13(16-5-2-3-10-19-16)20-17(21)14-6-8-15(9-7-14)18-22-11-4-12-23-18/h2-3,5-10,13,18H,4,11-12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyDAQYWJBWNNZCID-CYBMUJFWSA-N
XLogP4.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
4-(methylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168146
4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 25337085
4-(2-phenylethynyl)-N-(1-pyridin-2-ylethyl)benzamide
CID 24645517
3-[[4-(1,3-dithian-2-yl)benzoyl]amino]butanoic acid
CID 119347784
N-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999250
4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide
CID 112758997
6-methoxy-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 24645455
3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 43524264
N-[(1S)-1-pyridin-2-ylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 170903439
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 9164695

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithian-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The IUPAC name of 4-(1,3-dithian-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide (CID 35941522) is 4-(1,3-dithian-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide.
What is the SMILES notation for 4-(1,3-dithian-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The canonical SMILES for 4-(1,3-dithian-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide is C[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccccn1.
What is the InChIKey of 4-(1,3-dithian-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The InChIKey is DAQYWJBWNNZCID-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2OS2/c1-13(16-5-2-3-10-19-16)20-17(21)14-6-8-15(9-7-14)18-22-11-4-12-23-18/h2-3,5-10,13,18H,4,11-12H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 4-(1,3-dithian-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
4-(1,3-dithian-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide has a molecular weight of 344.51 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithian-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide is sourced from PubChem (CID 35941522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).