5-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide

C19H20F3NO4S — CID 55534850

IUPAC5-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C19H20F3NO4S/c20-19(21,22)13-5-4-6-14(11-13)23-18(24)17-10-9-15(27-17)12-28(25,26)16-7-2-1-3-8-16/h1-3,7-10,13-14H,4-6,11-12H2,(H,23,24)
InChIKeyFOWPYINKSCOVPY-UHFFFAOYSA-N
MW415.43 g/mol
LogP4.10
Rot. Bonds5

About 5-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide (PubChem CID 55534850) has the molecular formula C19H20F3NO4S and a molecular weight of 415.43 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide
PubChem CID55534850
Molecular FormulaC19H20F3NO4S
Molecular Weight415.43 g/mol
Exact Mass415.11
IUPAC Name5-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C19H20F3NO4S/c20-19(21,22)13-5-4-6-14(11-13)23-18(24)17-10-9-15(27-17)12-28(25,26)16-7-2-1-3-8-16/h1-3,7-10,13-14H,4-6,11-12H2,(H,23,24)
InChIKeyFOWPYINKSCOVPY-UHFFFAOYSA-N
XLogP4.10
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 55488951
4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
1-benzyl-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534298
5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide
CID 56522776
N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
CID 18147759
5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide
CID 9350231
2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 86920505
1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 36969496
N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579
3-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 75429137
5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide
CID 46590352

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide (CID 55534850) is 5-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)c1ccc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide?
The InChIKey is FOWPYINKSCOVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO4S/c20-19(21,22)13-5-4-6-14(11-13)23-18(24)17-10-9-15(27-17)12-28(25,26)16-7-2-1-3-8-16/h1-3,7-10,13-14H,4-6,11-12H2,(H,23,24).
What are the key properties of 5-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide has a molecular weight of 415.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide is sourced from PubChem (CID 55534850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).