4-(1,3-dithiolan-2-yl)-N-ethyl-N-phenylbenzamide

C18H19NOS2 — CID 86977726

IUPAC4-(1,3-dithiolan-2-yl)-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(C2SCCS2)cc1)c1ccccc1
InChIInChI=1S/C18H19NOS2/c1-2-19(16-6-4-3-5-7-16)17(20)14-8-10-15(11-9-14)18-21-12-13-22-18/h3-11,18H,2,12-13H2,1H3
InChIKeyIOQPHHPVKOIEQE-UHFFFAOYSA-N
MW329.49 g/mol
LogP4.83
Rot. Bonds4

About 4-(1,3-dithiolan-2-yl)-N-ethyl-N-phenylbenzamide

4-(1,3-dithiolan-2-yl)-N-ethyl-N-phenylbenzamide (PubChem CID 86977726) has the molecular formula C18H19NOS2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-(1,3-dithiolan-2-yl)-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-(1,3-dithiolan-2-yl)-N-ethyl-N-phenylbenzamide
PubChem CID86977726
Molecular FormulaC18H19NOS2
Molecular Weight329.49 g/mol
Exact Mass329.09
IUPAC Name4-(1,3-dithiolan-2-yl)-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(C2SCCS2)cc1)c1ccccc1
InChIInChI=1S/C18H19NOS2/c1-2-19(16-6-4-3-5-7-16)17(20)14-8-10-15(11-9-14)18-21-12-13-22-18/h3-11,18H,2,12-13H2,1H3
InChIKeyIOQPHHPVKOIEQE-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236
4-ethoxy-N-ethyl-N-phenylbenzamide
CID 721190
N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide
CID 43333185
1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109047506
4-(difluoromethoxy)-N-ethyl-N-phenylbenzamide
CID 78793978
N-ethyl-4-(2-phenoxyethoxy)-N-phenylbenzamide
CID 4952665
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
N-(1-aminopropan-2-yl)-4-(1,3-dithiolan-2-yl)-N-methylbenzamide
CID 119582994
N-ethyl-4-(4-methylpiperidine-1-carbonyl)-N-phenylbenzamide
CID 109044926
4-(cyanomethyl)-N-ethyl-N-phenylbenzamide
CID 82179228
1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048818
N-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 54787600

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithiolan-2-yl)-N-ethyl-N-phenylbenzamide?
The IUPAC name of 4-(1,3-dithiolan-2-yl)-N-ethyl-N-phenylbenzamide (CID 86977726) is 4-(1,3-dithiolan-2-yl)-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 4-(1,3-dithiolan-2-yl)-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 4-(1,3-dithiolan-2-yl)-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1ccc(C2SCCS2)cc1)c1ccccc1.
What is the InChIKey of 4-(1,3-dithiolan-2-yl)-N-ethyl-N-phenylbenzamide?
The InChIKey is IOQPHHPVKOIEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS2/c1-2-19(16-6-4-3-5-7-16)17(20)14-8-10-15(11-9-14)18-21-12-13-22-18/h3-11,18H,2,12-13H2,1H3.
What are the key properties of 4-(1,3-dithiolan-2-yl)-N-ethyl-N-phenylbenzamide?
4-(1,3-dithiolan-2-yl)-N-ethyl-N-phenylbenzamide has a molecular weight of 329.49 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithiolan-2-yl)-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 86977726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).