N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide

C27H23F3N2O5S — CID 156859842

IUPACN-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)cc1S(=O)(=O)Nc1c(C)cccc1C
InChIInChI=1S/C27H23F3N2O5S/c1-16-7-6-8-17(2)25(16)32-38(34,35)24-15-18(11-12-22(24)36-3)31-26(33)23-14-13-21(37-23)19-9-4-5-10-20(19)27(28,29)30/h4-15,32H,1-3H3,(H,31,33)
InChIKeyCXPJTAFFFIBUMA-UHFFFAOYSA-N
MW544.55 g/mol
LogP6.64
Rot. Bonds7

About N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 156859842) has the molecular formula C27H23F3N2O5S and a molecular weight of 544.55 g/mol. Its IUPAC name is N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID156859842
Molecular FormulaC27H23F3N2O5S
Molecular Weight544.55 g/mol
Exact Mass544.13
IUPAC NameN-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)cc1S(=O)(=O)Nc1c(C)cccc1C
InChIInChI=1S/C27H23F3N2O5S/c1-16-7-6-8-17(2)25(16)32-38(34,35)24-15-18(11-12-22(24)36-3)31-26(33)23-14-13-21(37-23)19-9-4-5-10-20(19)27(28,29)30/h4-15,32H,1-3H3,(H,31,33)
InChIKeyCXPJTAFFFIBUMA-UHFFFAOYSA-N
XLogP6.64
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.55
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyridine-4-carboxamide
CID 168786238
N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-3-phenylpyridine-2-carboxamide
CID 168786153
N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 3872686
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide
CID 71771105
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
CID 34081551
N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]quinoline-6-carboxamide
CID 156859982
N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-(trifluoromethyl)thiophene-2-carboxamide
CID 166752318
5-(2,3-dichlorophenyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1323463
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4312419
N-(5-acetamido-2-methoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 17478266
5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide
CID 99703143
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848572

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 156859842) is N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide is COc1ccc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)cc1S(=O)(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is CXPJTAFFFIBUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N2O5S/c1-16-7-6-8-17(2)25(16)32-38(34,35)24-15-18(11-12-22(24)36-3)31-26(33)23-14-13-21(37-23)19-9-4-5-10-20(19)27(28,29)30/h4-15,32H,1-3H3,(H,31,33).
What are the key properties of N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 544.55 g/mol, XLogP of 6.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 156859842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).