4-(difluoromethylsulfanyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide

C18H18F2N2O3S — CID 32940874

IUPAC4-(difluoromethylsulfanyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C18H18F2N2O3S/c1-2-21-16(23)11-25-14-7-5-13(6-8-14)22-17(24)12-3-9-15(10-4-12)26-18(19)20/h3-10,18H,2,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyGMUDIAVZCUFUMC-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.77
Rot. Bonds8

About 4-(difluoromethylsulfanyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide

4-(difluoromethylsulfanyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide (PubChem CID 32940874) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
PubChem CID32940874
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name4-(difluoromethylsulfanyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C18H18F2N2O3S/c1-2-21-16(23)11-25-14-7-5-13(6-8-14)22-17(24)12-3-9-15(10-4-12)26-18(19)20/h3-10,18H,2,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyGMUDIAVZCUFUMC-UHFFFAOYSA-N
XLogP3.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide
CID 24617722
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467585
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide
CID 33252679
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(methoxysulfamoyl)benzamide
CID 46460655
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide
CID 32941425
N-[4-(difluoromethylsulfanyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 43011380
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55587996
N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 26908446
N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide
CID 55818884
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide
CID 2567810

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide (CID 32940874) is 4-(difluoromethylsulfanyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide is CCNC(=O)COc1ccc(NC(=O)c2ccc(SC(F)F)cc2)cc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide?
The InChIKey is GMUDIAVZCUFUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c1-2-21-16(23)11-25-14-7-5-13(6-8-14)22-17(24)12-3-9-15(10-4-12)26-18(19)20/h3-10,18H,2,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-(difluoromethylsulfanyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide?
4-(difluoromethylsulfanyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide has a molecular weight of 380.42 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide is sourced from PubChem (CID 32940874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).