N-[(3,5-difluorophenyl)methyl]-5-[[4-(2-methylpropyl)phenyl]sulfonylmethyl]furan-2-carboxamide

C23H23F2NO4S — CID 46857842

IUPACN-[(3,5-difluorophenyl)methyl]-5-[[4-(2-methylpropyl)phenyl]sulfonylmethyl]furan-2-carboxamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3cc(F)cc(F)c3)o2)cc1
InChIInChI=1S/C23H23F2NO4S/c1-15(2)9-16-3-6-21(7-4-16)31(28,29)14-20-5-8-22(30-20)23(27)26-13-17-10-18(24)12-19(25)11-17/h3-8,10-12,15H,9,13-14H2,1-2H3,(H,26,27)
InChIKeyZTEXZBASVIBECT-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.66
Rot. Bonds8

About N-[(3,5-difluorophenyl)methyl]-5-[[4-(2-methylpropyl)phenyl]sulfonylmethyl]furan-2-carboxamide

N-[(3,5-difluorophenyl)methyl]-5-[[4-(2-methylpropyl)phenyl]sulfonylmethyl]furan-2-carboxamide (PubChem CID 46857842) has the molecular formula C23H23F2NO4S and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-5-[[4-(2-methylpropyl)phenyl]sulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-5-[[4-(2-methylpropyl)phenyl]sulfonylmethyl]furan-2-carboxamide
PubChem CID46857842
Molecular FormulaC23H23F2NO4S
Molecular Weight447.50 g/mol
Exact Mass447.13
IUPAC NameN-[(3,5-difluorophenyl)methyl]-5-[[4-(2-methylpropyl)phenyl]sulfonylmethyl]furan-2-carboxamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3cc(F)cc(F)c3)o2)cc1
InChIInChI=1S/C23H23F2NO4S/c1-15(2)9-16-3-6-21(7-4-16)31(28,29)14-20-5-8-22(30-20)23(27)26-13-17-10-18(24)12-19(25)11-17/h3-8,10-12,15H,9,13-14H2,1-2H3,(H,26,27)
InChIKeyZTEXZBASVIBECT-UHFFFAOYSA-N
XLogP4.66
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579
N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859597
5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 3593665
5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 51155551
5-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 46857835
5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide
CID 46466507
N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859588
5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide
CID 26362090
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-(benzenesulfonylmethyl)furan-2-carboxamide
CID 55737426
5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 26696587
5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide
CID 46590352
5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
CID 46468496

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-5-[[4-(2-methylpropyl)phenyl]sulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-5-[[4-(2-methylpropyl)phenyl]sulfonylmethyl]furan-2-carboxamide (CID 46857842) is N-[(3,5-difluorophenyl)methyl]-5-[[4-(2-methylpropyl)phenyl]sulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-5-[[4-(2-methylpropyl)phenyl]sulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-5-[[4-(2-methylpropyl)phenyl]sulfonylmethyl]furan-2-carboxamide is CC(C)Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3cc(F)cc(F)c3)o2)cc1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-5-[[4-(2-methylpropyl)phenyl]sulfonylmethyl]furan-2-carboxamide?
The InChIKey is ZTEXZBASVIBECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2NO4S/c1-15(2)9-16-3-6-21(7-4-16)31(28,29)14-20-5-8-22(30-20)23(27)26-13-17-10-18(24)12-19(25)11-17/h3-8,10-12,15H,9,13-14H2,1-2H3,(H,26,27).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-5-[[4-(2-methylpropyl)phenyl]sulfonylmethyl]furan-2-carboxamide?
N-[(3,5-difluorophenyl)methyl]-5-[[4-(2-methylpropyl)phenyl]sulfonylmethyl]furan-2-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-5-[[4-(2-methylpropyl)phenyl]sulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 46857842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).