2-(difluoromethoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide

C15H15F2NO2S2 — CID 46516746

IUPAC2-(difluoromethoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCc1cccs1)c1ccccc1OC(F)F
InChIInChI=1S/C15H15F2NO2S2/c16-15(17)20-13-6-2-1-5-12(13)14(19)18-7-9-21-10-11-4-3-8-22-11/h1-6,8,15H,7,9-10H2,(H,18,19)
InChIKeyNHGFGHPGABQSPN-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.01
Rot. Bonds8

About 2-(difluoromethoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide

2-(difluoromethoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide (PubChem CID 46516746) has the molecular formula C15H15F2NO2S2 and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
PubChem CID46516746
Molecular FormulaC15H15F2NO2S2
Molecular Weight343.42 g/mol
Exact Mass343.05
IUPAC Name2-(difluoromethoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCc1cccs1)c1ccccc1OC(F)F
InChIInChI=1S/C15H15F2NO2S2/c16-15(17)20-13-6-2-1-5-12(13)14(19)18-7-9-21-10-11-4-3-8-22-11/h1-6,8,15H,7,9-10H2,(H,18,19)
InChIKeyNHGFGHPGABQSPN-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46819854
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
4-iodo-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46684444
2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide
CID 18225114
N-(4-bromobutyl)-2-(difluoromethoxy)benzamide
CID 106845934
2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide
CID 103918835
[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 2-chlorobenzoate
CID 8860321
2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 39709098
5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide
CID 46516732
2-[1-[2-(difluoromethoxy)benzoyl]piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3744816
2-(difluoromethoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43019875

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide (CID 46516746) is 2-(difluoromethoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide is O=C(NCCSCc1cccs1)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide?
The InChIKey is NHGFGHPGABQSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2S2/c16-15(17)20-13-6-2-1-5-12(13)14(19)18-7-9-21-10-11-4-3-8-22-11/h1-6,8,15H,7,9-10H2,(H,18,19).
What are the key properties of 2-(difluoromethoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide?
2-(difluoromethoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide has a molecular weight of 343.42 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide is sourced from PubChem (CID 46516746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).