N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-3-(trifluoromethyl)benzamide

C20H21F3N2O4S — CID 30125791

IUPACN-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N2O4S/c21-20(22,23)17-3-1-2-16(14-17)19(26)24-9-8-15-4-6-18(7-5-15)30(27,28)25-10-12-29-13-11-25/h1-7,14H,8-13H2,(H,24,26)
InChIKeyIGXLOWNERWGKNU-UHFFFAOYSA-N
MW442.46 g/mol
LogP2.70
Rot. Bonds6

About N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-3-(trifluoromethyl)benzamide

N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 30125791) has the molecular formula C20H21F3N2O4S and a molecular weight of 442.46 g/mol. Its IUPAC name is N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID30125791
Molecular FormulaC20H21F3N2O4S
Molecular Weight442.46 g/mol
Exact Mass442.12
IUPAC NameN-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N2O4S/c21-20(22,23)17-3-1-2-16(14-17)19(26)24-9-8-15-4-6-18(7-5-15)30(27,28)25-10-12-29-13-11-25/h1-7,14H,8-13H2,(H,24,26)
InChIKeyIGXLOWNERWGKNU-UHFFFAOYSA-N
XLogP2.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 17447617
N-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119548741
4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30865968
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 30125752
3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 2671800
3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125800
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 20933691
4-methyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-3,5-dinitrobenzamide
CID 108736594
2,2-dimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]propanamide
CID 108736609
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 46790623
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 52713270

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-3-(trifluoromethyl)benzamide (CID 30125791) is N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-3-(trifluoromethyl)benzamide is O=C(NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is IGXLOWNERWGKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O4S/c21-20(22,23)17-3-1-2-16(14-17)19(26)24-9-8-15-4-6-18(7-5-15)30(27,28)25-10-12-29-13-11-25/h1-7,14H,8-13H2,(H,24,26).
What are the key properties of N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-3-(trifluoromethyl)benzamide?
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 442.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 30125791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).