N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide

C21H18N2O5S — CID 17108370

IUPACN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)oc2ccccc12
InChIInChI=1S/C21H18N2O5S/c1-14-18-6-2-3-7-19(18)28-20(14)21(24)23-15-8-10-17(11-9-15)29(25,26)22-13-16-5-4-12-27-16/h2-12,22H,13H2,1H3,(H,23,24)
InChIKeyVATGQBRTRJNVAZ-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.07
Rot. Bonds6

About N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 17108370) has the molecular formula C21H18N2O5S and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID17108370
Molecular FormulaC21H18N2O5S
Molecular Weight410.45 g/mol
Exact Mass410.09
IUPAC NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)oc2ccccc12
InChIInChI=1S/C21H18N2O5S/c1-14-18-6-2-3-7-19(18)28-20(14)21(24)23-15-8-10-17(11-9-15)29(25,26)22-13-16-5-4-12-27-16/h2-12,22H,13H2,1H3,(H,23,24)
InChIKeyVATGQBRTRJNVAZ-UHFFFAOYSA-N
XLogP4.07
TPSA101.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 2483251
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911419
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-nitrobenzamide
CID 17147213
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
CID 17170937
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17014036
[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 169358880
3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 2373627
N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 788573
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17430765
1-(3,5-dimethylphenyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 25039568
2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid
CID 108793560

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide (CID 17108370) is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)oc2ccccc12.
What is the InChIKey of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is VATGQBRTRJNVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5S/c1-14-18-6-2-3-7-19(18)28-20(14)21(24)23-15-8-10-17(11-9-15)29(25,26)22-13-16-5-4-12-27-16/h2-12,22H,13H2,1H3,(H,23,24).
What are the key properties of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17108370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).