4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide

C16H15F2NOS — CID 24616145

IUPAC4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide
SMILESCCc1cccc(NC(=O)c2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C16H15F2NOS/c1-2-11-4-3-5-13(10-11)19-15(20)12-6-8-14(9-7-12)21-16(17)18/h3-10,16H,2H2,1H3,(H,19,20)
InChIKeyHPBSFKKTVIINHB-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.82
Rot. Bonds5

About 4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide

4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide (PubChem CID 24616145) has the molecular formula C16H15F2NOS and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide
PubChem CID24616145
Molecular FormulaC16H15F2NOS
Molecular Weight307.37 g/mol
Exact Mass307.08
IUPAC Name4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide
SMILESCCc1cccc(NC(=O)c2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C16H15F2NOS/c1-2-11-4-3-5-13(10-11)19-15(20)12-6-8-14(9-7-12)21-16(17)18/h3-10,16H,2H2,1H3,(H,19,20)
InChIKeyHPBSFKKTVIINHB-UHFFFAOYSA-N
XLogP4.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 51339145
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
CID 7935129
N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide
CID 17469695
N-(3-ethylphenyl)-4-methylsulfonylbenzamide
CID 26880057
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942
4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide
CID 29352763
4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide
CID 24617722
N-[3-(bromomethyl)phenyl]-4-methylsulfanylbenzamide
CID 113273954
N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide
CID 7731668
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide (CID 24616145) is 4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide is CCc1cccc(NC(=O)c2ccc(SC(F)F)cc2)c1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide?
The InChIKey is HPBSFKKTVIINHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NOS/c1-2-11-4-3-5-13(10-11)19-15(20)12-6-8-14(9-7-12)21-16(17)18/h3-10,16H,2H2,1H3,(H,19,20).
What are the key properties of 4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide?
4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide has a molecular weight of 307.37 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide is sourced from PubChem (CID 24616145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).