N-[3-[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]propanamide

C21H27FN2O3S — CID 22176572

IUPACN-[3-[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2ccc(C(C)(F)CNS(=O)(=O)C(C)C)cc2)c1
InChIInChI=1S/C21H27FN2O3S/c1-5-20(25)24-19-8-6-7-17(13-19)16-9-11-18(12-10-16)21(4,22)14-23-28(26,27)15(2)3/h6-13,15,23H,5,14H2,1-4H3,(H,24,25)
InChIKeyJJDJSKQMLCUGDO-UHFFFAOYSA-N
MW406.52 g/mol
LogP4.21
Rot. Bonds8

About N-[3-[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]propanamide

N-[3-[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]propanamide (PubChem CID 22176572) has the molecular formula C21H27FN2O3S and a molecular weight of 406.52 g/mol. Its IUPAC name is N-[3-[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]propanamide
PubChem CID22176572
Molecular FormulaC21H27FN2O3S
Molecular Weight406.52 g/mol
Exact Mass406.17
IUPAC NameN-[3-[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2ccc(C(C)(F)CNS(=O)(=O)C(C)C)cc2)c1
InChIInChI=1S/C21H27FN2O3S/c1-5-20(25)24-19-8-6-7-17(13-19)16-9-11-18(12-10-16)21(4,22)14-23-28(26,27)15(2)3/h6-13,15,23H,5,14H2,1-4H3,(H,24,25)
InChIKeyJJDJSKQMLCUGDO-UHFFFAOYSA-N
XLogP4.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(3-fluorophenyl)phenyl]-2-hydroxypropyl]propane-2-sulfonamide
CID 141028528
N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide
CID 62999117
N-(3-butan-2-ylphenyl)propanamide
CID 139481795
1-amino-3-[4-[1-(dimethylsulfamoylamino)-2-fluoropropan-2-yl]phenyl]benzene
CID 22176548
N-[3-(octylamino)phenyl]propanamide
CID 43130255
N-[3-[2-(3,5-dichlorophenyl)-2-(1,1-difluoroethyl)-1-oxo-3H-inden-5-yl]phenyl]propanamide
CID 123165452
N-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 23579193
3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113136185
lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664
N-[3-(1,1-difluoroethyl)phenyl]-2-hydroxyacetamide
CID 126784306
N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833021
2-[2-propan-2-yl-5-(trifluoromethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21204509

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]propanamide?
The IUPAC name of N-[3-[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]propanamide (CID 22176572) is N-[3-[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]propanamide.
What is the SMILES notation for N-[3-[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]propanamide?
The canonical SMILES for N-[3-[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]propanamide is CCC(=O)Nc1cccc(-c2ccc(C(C)(F)CNS(=O)(=O)C(C)C)cc2)c1.
What is the InChIKey of N-[3-[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]propanamide?
The InChIKey is JJDJSKQMLCUGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3S/c1-5-20(25)24-19-8-6-7-17(13-19)16-9-11-18(12-10-16)21(4,22)14-23-28(26,27)15(2)3/h6-13,15,23H,5,14H2,1-4H3,(H,24,25).
What are the key properties of N-[3-[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]propanamide?
N-[3-[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]propanamide has a molecular weight of 406.52 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]propanamide is sourced from PubChem (CID 22176572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).