4-(difluoromethylsulfanyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide

C15H15F2NOS2 — CID 47019958

IUPAC4-(difluoromethylsulfanyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C15H15F2NOS2/c1-2-18(10-13-4-3-9-20-13)14(19)11-5-7-12(8-6-11)21-15(16)17/h3-9,15H,2,10H2,1H3
InChIKeyVEPDDTJZBPACGQ-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.73
Rot. Bonds6

About 4-(difluoromethylsulfanyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide

4-(difluoromethylsulfanyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 47019958) has the molecular formula C15H15F2NOS2 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID47019958
Molecular FormulaC15H15F2NOS2
Molecular Weight327.42 g/mol
Exact Mass327.06
IUPAC Name4-(difluoromethylsulfanyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C15H15F2NOS2/c1-2-18(10-13-4-3-9-20-13)14(19)11-5-7-12(8-6-11)21-15(16)17/h3-9,15H,2,10H2,1H3
InChIKeyVEPDDTJZBPACGQ-UHFFFAOYSA-N
XLogP4.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
4-(difluoromethylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55520684
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858692
3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801031
3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 61106292
N-ethyl-6-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62175204
N-ethyl-4-hydrazinyl-3-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 63211798
N-ethyl-4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 47068989
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 18163426

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide (CID 47019958) is 4-(difluoromethylsulfanyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide is CCN(Cc1cccs1)C(=O)c1ccc(SC(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is VEPDDTJZBPACGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NOS2/c1-2-18(10-13-4-3-9-20-13)14(19)11-5-7-12(8-6-11)21-15(16)17/h3-9,15H,2,10H2,1H3.
What are the key properties of 4-(difluoromethylsulfanyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
4-(difluoromethylsulfanyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 327.42 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 47019958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).