N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide

C18H16F3NO3S2 — CID 90495783

IUPACN-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N(CCc1cccs1)Cc1ccco1
InChIInChI=1S/C18H16F3NO3S2/c19-18(20,21)14-4-1-7-17(12-14)27(23,24)22(13-15-5-2-10-25-15)9-8-16-6-3-11-26-16/h1-7,10-12H,8-9,13H2
InChIKeyKYFSLRUIJPNYSK-UHFFFAOYSA-N
MW415.46 g/mol
LogP4.79
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide

N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 90495783) has the molecular formula C18H16F3NO3S2 and a molecular weight of 415.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID90495783
Molecular FormulaC18H16F3NO3S2
Molecular Weight415.46 g/mol
Exact Mass415.05
IUPAC NameN-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N(CCc1cccs1)Cc1ccco1
InChIInChI=1S/C18H16F3NO3S2/c19-18(20,21)14-4-1-7-17(12-14)27(23,24)22(13-15-5-2-10-25-15)9-8-16-6-3-11-26-16/h1-7,10-12H,8-9,13H2
InChIKeyKYFSLRUIJPNYSK-UHFFFAOYSA-N
XLogP4.79
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 31010892
N-(furan-2-ylmethyl)-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 167947468
2-bromo-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90495790
N-(furan-2-ylmethyl)-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-phenylethyl)acetamide
CID 4535974
N-(furan-2-ylmethyl)-2,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90495780
[3-[[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 4196487
N-benzyl-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 5018950
[3-[[(4-tert-butylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 4196566
1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 90495819
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 4617118
N-(furan-2-ylmethyl)-2-[3-methoxypropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 5041422

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 90495783) is N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(c1cccc(C(F)(F)F)c1)N(CCc1cccs1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KYFSLRUIJPNYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO3S2/c19-18(20,21)14-4-1-7-17(12-14)27(23,24)22(13-15-5-2-10-25-15)9-8-16-6-3-11-26-16/h1-7,10-12H,8-9,13H2.
What are the key properties of N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 415.46 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90495783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).