N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]-4-(trifluoromethylsulfonyl)aniline

C17H19F3N2O4S — CID 133475352

IUPACN-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]-4-(trifluoromethylsulfonyl)aniline
SMILESO=S(=O)(c1ccc(NCc2ccc(CN3CCOCC3)o2)cc1)C(F)(F)F
InChIInChI=1S/C17H19F3N2O4S/c18-17(19,20)27(23,24)16-5-1-13(2-6-16)21-11-14-3-4-15(26-14)12-22-7-9-25-10-8-22/h1-6,21H,7-12H2
InChIKeyKBHLOBNWQIZNRG-UHFFFAOYSA-N
MW404.41 g/mol
LogP3.02
Rot. Bonds6

About N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]-4-(trifluoromethylsulfonyl)aniline

N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]-4-(trifluoromethylsulfonyl)aniline (PubChem CID 133475352) has the molecular formula C17H19F3N2O4S and a molecular weight of 404.41 g/mol. Its IUPAC name is N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]-4-(trifluoromethylsulfonyl)aniline.

Molecular Properties

Compound NameN-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]-4-(trifluoromethylsulfonyl)aniline
PubChem CID133475352
Molecular FormulaC17H19F3N2O4S
Molecular Weight404.41 g/mol
Exact Mass404.10
IUPAC NameN-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]-4-(trifluoromethylsulfonyl)aniline
SMILESO=S(=O)(c1ccc(NCc2ccc(CN3CCOCC3)o2)cc1)C(F)(F)F
InChIInChI=1S/C17H19F3N2O4S/c18-17(19,20)27(23,24)16-5-1-13(2-6-16)21-11-14-3-4-15(26-14)12-22-7-9-25-10-8-22/h1-6,21H,7-12H2
InChIKeyKBHLOBNWQIZNRG-UHFFFAOYSA-N
XLogP3.02
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]morpholine
CID 155546801
[5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol
CID 64578214
N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62439919
N-(1,2-oxazol-3-ylmethyl)-4-(trifluoromethylsulfonyl)aniline
CID 79492911
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-4-(trifluoromethylsulfonyl)aniline
CID 96536322
N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethylsulfonyl)aniline
CID 106403444
methyl 2-[4-(trifluoromethylsulfonyl)anilino]acetate
CID 43427641
N,N-dimethyl-4-(2-morpholin-4-ylethylamino)benzenesulfonamide
CID 43453904
N-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide
CID 43429869
4-(difluoromethylsulfonyl)-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78829467
2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone
CID 28579517
N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62969152

Frequently Asked Questions

What is the IUPAC name of N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]-4-(trifluoromethylsulfonyl)aniline?
The IUPAC name of N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]-4-(trifluoromethylsulfonyl)aniline (CID 133475352) is N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]-4-(trifluoromethylsulfonyl)aniline.
What is the SMILES notation for N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]-4-(trifluoromethylsulfonyl)aniline?
The canonical SMILES for N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]-4-(trifluoromethylsulfonyl)aniline is O=S(=O)(c1ccc(NCc2ccc(CN3CCOCC3)o2)cc1)C(F)(F)F.
What is the InChIKey of N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]-4-(trifluoromethylsulfonyl)aniline?
The InChIKey is KBHLOBNWQIZNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O4S/c18-17(19,20)27(23,24)16-5-1-13(2-6-16)21-11-14-3-4-15(26-14)12-22-7-9-25-10-8-22/h1-6,21H,7-12H2.
What are the key properties of N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]-4-(trifluoromethylsulfonyl)aniline?
N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]-4-(trifluoromethylsulfonyl)aniline has a molecular weight of 404.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]-4-(trifluoromethylsulfonyl)aniline is sourced from PubChem (CID 133475352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).