4-(1,3-dithiolan-2-yl)-N-(6-methoxy-3-pyridinyl)benzamide

C16H16N2O2S2 — CID 40599544

IUPAC4-(1,3-dithiolan-2-yl)-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cn1
InChIInChI=1S/C16H16N2O2S2/c1-20-14-7-6-13(10-17-14)18-15(19)11-2-4-12(5-3-11)16-21-8-9-22-16/h2-7,10,16H,8-9H2,1H3,(H,18,19)
InChIKeyGCZGMRJOFVKFSH-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.82
Rot. Bonds4

About 4-(1,3-dithiolan-2-yl)-N-(6-methoxy-3-pyridinyl)benzamide

4-(1,3-dithiolan-2-yl)-N-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 40599544) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-(1,3-dithiolan-2-yl)-N-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(1,3-dithiolan-2-yl)-N-(6-methoxy-3-pyridinyl)benzamide
PubChem CID40599544
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC Name4-(1,3-dithiolan-2-yl)-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cn1
InChIInChI=1S/C16H16N2O2S2/c1-20-14-7-6-13(10-17-14)18-15(19)11-2-4-12(5-3-11)16-21-8-9-22-16/h2-7,10,16H,8-9H2,1H3,(H,18,19)
InChIKeyGCZGMRJOFVKFSH-UHFFFAOYSA-N
XLogP3.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-3-pyridinyl)-4-(1,3-oxazol-5-yl)benzamide
CID 51085481
N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17466734
6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 62060168
4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478576
N-[4-(cyclopropylcarbamoyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 51300111
4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide
CID 42030650
4-(1,3-dithiolan-2-yl)-N-methoxybenzamide
CID 27745104
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
4-(1,3-dithiolan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7962066
propyl 4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]benzoate
CID 26199145
4-imidazol-1-yl-N-(6-methoxy-3-pyridinyl)benzamide
CID 31532934
3,4,5-triethoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478549

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithiolan-2-yl)-N-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 4-(1,3-dithiolan-2-yl)-N-(6-methoxy-3-pyridinyl)benzamide (CID 40599544) is 4-(1,3-dithiolan-2-yl)-N-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 4-(1,3-dithiolan-2-yl)-N-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 4-(1,3-dithiolan-2-yl)-N-(6-methoxy-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cn1.
What is the InChIKey of 4-(1,3-dithiolan-2-yl)-N-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is GCZGMRJOFVKFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c1-20-14-7-6-13(10-17-14)18-15(19)11-2-4-12(5-3-11)16-21-8-9-22-16/h2-7,10,16H,8-9H2,1H3,(H,18,19).
What are the key properties of 4-(1,3-dithiolan-2-yl)-N-(6-methoxy-3-pyridinyl)benzamide?
4-(1,3-dithiolan-2-yl)-N-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 332.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithiolan-2-yl)-N-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 40599544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).