N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

C20H23F4N3O4S — CID 55949741

IUPACN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESCN(C)C(CNC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H23F4N3O4S/c1-27(2)18(14-3-5-15(21)6-4-14)13-25-19(28)11-12-26-32(29,30)17-9-7-16(8-10-17)31-20(22,23)24/h3-10,18,26H,11-13H2,1-2H3,(H,25,28)
InChIKeyQQOLOQKCYVSKFO-UHFFFAOYSA-N
MW477.48 g/mol
LogP2.81
Rot. Bonds10

About N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (PubChem CID 55949741) has the molecular formula C20H23F4N3O4S and a molecular weight of 477.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
PubChem CID55949741
Molecular FormulaC20H23F4N3O4S
Molecular Weight477.48 g/mol
Exact Mass477.13
IUPAC NameN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESCN(C)C(CNC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H23F4N3O4S/c1-27(2)18(14-3-5-15(21)6-4-14)13-25-19(28)11-12-26-32(29,30)17-9-7-16(8-10-17)31-20(22,23)24/h3-10,18,26H,11-13H2,1-2H3,(H,25,28)
InChIKeyQQOLOQKCYVSKFO-UHFFFAOYSA-N
XLogP2.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55949346
N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43001637
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 24640206
N-[1-(4-methylphenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577678
N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 27648395
N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 97088140
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55337277
N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577873
N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24575222
N-[[4-(ethoxymethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 30874185
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-(naphthalen-2-ylsulfonylamino)butanamide
CID 41203632
N-[[4-(4-fluorophenoxy)phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24644960

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (CID 55949741) is N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is CN(C)C(CNC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The InChIKey is QQOLOQKCYVSKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F4N3O4S/c1-27(2)18(14-3-5-15(21)6-4-14)13-25-19(28)11-12-26-32(29,30)17-9-7-16(8-10-17)31-20(22,23)24/h3-10,18,26H,11-13H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide has a molecular weight of 477.48 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 55949741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).