N-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide

C20H19N3O5S — CID 9479404

IUPACN-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1C
InChIInChI=1S/C20H19N3O5S/c1-13-5-8-16(12-18(13)29(26,27)21-2)23-19(24)14-6-9-15(10-7-14)22-20(25)17-4-3-11-28-17/h3-12,21H,1-2H3,(H,22,25)(H,23,24)
InChIKeyXFJFHUUSVLYFPE-UHFFFAOYSA-N
MW413.46 g/mol
LogP3.00
Rot. Bonds6

About N-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide

N-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 9479404) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID9479404
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC NameN-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1C
InChIInChI=1S/C20H19N3O5S/c1-13-5-8-16(12-18(13)29(26,27)21-2)23-19(24)14-6-9-15(10-7-14)22-20(25)17-4-3-11-28-17/h3-12,21H,1-2H3,(H,22,25)(H,23,24)
InChIKeyXFJFHUUSVLYFPE-UHFFFAOYSA-N
XLogP3.00
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190078
2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide
CID 106852863
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-phenylmethoxybenzamide
CID 9107189
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(2-methylpropyl)benzamide
CID 9107411
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 60646244
N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 9072392
methyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate
CID 25335107
N-[4-[(2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 872367
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide
CID 3592992
5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide
CID 2107998
N-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9141000

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (CID 9479404) is N-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is CNS(=O)(=O)c1cc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1C.
What is the InChIKey of N-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is XFJFHUUSVLYFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-13-5-8-16(12-18(13)29(26,27)21-2)23-19(24)14-6-9-15(10-7-14)22-20(25)17-4-3-11-28-17/h3-12,21H,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 9479404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).