4-(1,3-dithian-2-yl)-N-[2-(methoxymethyl)phenyl]benzamide

C19H21NO2S2 — CID 86990667

IUPAC4-(1,3-dithian-2-yl)-N-[2-(methoxymethyl)phenyl]benzamide
SMILESCOCc1ccccc1NC(=O)c1ccc(C2SCCCS2)cc1
InChIInChI=1S/C19H21NO2S2/c1-22-13-16-5-2-3-6-17(16)20-18(21)14-7-9-15(10-8-14)19-23-11-4-12-24-19/h2-3,5-10,19H,4,11-13H2,1H3,(H,20,21)
InChIKeyWEFGSOVPOULRRH-UHFFFAOYSA-N
MW359.52 g/mol
LogP4.95
Rot. Bonds5

About 4-(1,3-dithian-2-yl)-N-[2-(methoxymethyl)phenyl]benzamide

4-(1,3-dithian-2-yl)-N-[2-(methoxymethyl)phenyl]benzamide (PubChem CID 86990667) has the molecular formula C19H21NO2S2 and a molecular weight of 359.52 g/mol. Its IUPAC name is 4-(1,3-dithian-2-yl)-N-[2-(methoxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(1,3-dithian-2-yl)-N-[2-(methoxymethyl)phenyl]benzamide
PubChem CID86990667
Molecular FormulaC19H21NO2S2
Molecular Weight359.52 g/mol
Exact Mass359.10
IUPAC Name4-(1,3-dithian-2-yl)-N-[2-(methoxymethyl)phenyl]benzamide
SMILESCOCc1ccccc1NC(=O)c1ccc(C2SCCCS2)cc1
InChIInChI=1S/C19H21NO2S2/c1-22-13-16-5-2-3-6-17(16)20-18(21)14-7-9-15(10-8-14)19-23-11-4-12-24-19/h2-3,5-10,19H,4,11-13H2,1H3,(H,20,21)
InChIKeyWEFGSOVPOULRRH-UHFFFAOYSA-N
XLogP4.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 102851092
4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide
CID 43701008
N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 61273892
3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide
CID 79467282
N-[2-(methoxymethyl)phenyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 55780199
4-(1,3-dithiolan-2-yl)-N-(2-methoxyethyl)benzamide
CID 18161968
N-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
CID 40600054
4-(1,3-dithiolan-2-yl)-N-methoxybenzamide
CID 27745104
3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-N-methylbenzamide
CID 18208547
methyl 2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 18103750
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
6-(ethylamino)-N-[2-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62177976

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithian-2-yl)-N-[2-(methoxymethyl)phenyl]benzamide?
The IUPAC name of 4-(1,3-dithian-2-yl)-N-[2-(methoxymethyl)phenyl]benzamide (CID 86990667) is 4-(1,3-dithian-2-yl)-N-[2-(methoxymethyl)phenyl]benzamide.
What is the SMILES notation for 4-(1,3-dithian-2-yl)-N-[2-(methoxymethyl)phenyl]benzamide?
The canonical SMILES for 4-(1,3-dithian-2-yl)-N-[2-(methoxymethyl)phenyl]benzamide is COCc1ccccc1NC(=O)c1ccc(C2SCCCS2)cc1.
What is the InChIKey of 4-(1,3-dithian-2-yl)-N-[2-(methoxymethyl)phenyl]benzamide?
The InChIKey is WEFGSOVPOULRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S2/c1-22-13-16-5-2-3-6-17(16)20-18(21)14-7-9-15(10-8-14)19-23-11-4-12-24-19/h2-3,5-10,19H,4,11-13H2,1H3,(H,20,21).
What are the key properties of 4-(1,3-dithian-2-yl)-N-[2-(methoxymethyl)phenyl]benzamide?
4-(1,3-dithian-2-yl)-N-[2-(methoxymethyl)phenyl]benzamide has a molecular weight of 359.52 g/mol, XLogP of 4.95, 5 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-[2-(methoxymethyl)phenyl]benzamide is sourced from PubChem (CID 86990667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).