N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide

C20H22F2N2O4S2 — CID 30840402

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccccc2SC(F)F)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H22F2N2O4S2/c1-2-14-7-8-15(13-18(14)30(26,27)24-9-11-28-12-10-24)19(25)23-16-5-3-4-6-17(16)29-20(21)22/h3-8,13,20H,2,9-12H2,1H3,(H,23,25)
InChIKeyTVLBGVKDKZMTHE-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.84
Rot. Bonds7

About N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide

N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 30840402) has the molecular formula C20H22F2N2O4S2 and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID30840402
Molecular FormulaC20H22F2N2O4S2
Molecular Weight456.54 g/mol
Exact Mass456.10
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccccc2SC(F)F)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H22F2N2O4S2/c1-2-14-7-8-15(13-18(14)30(26,27)24-9-11-28-12-10-24)19(25)23-16-5-3-4-6-17(16)29-20(21)22/h3-8,13,20H,2,9-12H2,1H3,(H,23,25)
InChIKeyTVLBGVKDKZMTHE-UHFFFAOYSA-N
XLogP3.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584228
N-(5-chloro-2-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46581514
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
N-[2-(difluoromethylsulfanyl)phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 36671680
N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55613673
N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55578878
methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 30839746
4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43058910
4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30840501
4-ethyl-N-(6-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
CID 46581324
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 119221567

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (CID 30840402) is N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide is CCc1ccc(C(=O)Nc2ccccc2SC(F)F)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is TVLBGVKDKZMTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O4S2/c1-2-14-7-8-15(13-18(14)30(26,27)24-9-11-28-12-10-24)19(25)23-16-5-3-4-6-17(16)29-20(21)22/h3-8,13,20H,2,9-12H2,1H3,(H,23,25).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 456.54 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 30840402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).