5-(4-acetylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide

C22H22N2O6S — CID 30755667

IUPAC5-(4-acetylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1
InChIInChI=1S/C22H22N2O6S/c1-15(25)16-3-5-17(6-4-16)20-11-12-21(30-20)22(26)23-13-14-24-31(27,28)19-9-7-18(29-2)8-10-19/h3-12,24H,13-14H2,1-2H3,(H,23,26)
InChIKeyJPFUKZLXXBBLPD-UHFFFAOYSA-N
MW442.49 g/mol
LogP2.87
Rot. Bonds9

About 5-(4-acetylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide

5-(4-acetylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide (PubChem CID 30755667) has the molecular formula C22H22N2O6S and a molecular weight of 442.49 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide
PubChem CID30755667
Molecular FormulaC22H22N2O6S
Molecular Weight442.49 g/mol
Exact Mass442.12
IUPAC Name5-(4-acetylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1
InChIInChI=1S/C22H22N2O6S/c1-15(25)16-3-5-17(6-4-16)20-11-12-21(30-20)22(26)23-13-14-24-31(27,28)19-9-7-18(29-2)8-10-19/h3-12,24H,13-14H2,1-2H3,(H,23,26)
InChIKeyJPFUKZLXXBBLPD-UHFFFAOYSA-N
XLogP2.87
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide
CID 94273188
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108571060
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide
CID 18286334
2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 33433831
5-bromo-N-[2-[(4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 108537811
2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718082
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine
CID 111182474
N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55976933
5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145659
5-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]furan-2-carboxamide
CID 91679909

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide?
The IUPAC name of 5-(4-acetylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide (CID 30755667) is 5-(4-acetylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-acetylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-acetylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide is COc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide?
The InChIKey is JPFUKZLXXBBLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6S/c1-15(25)16-3-5-17(6-4-16)20-11-12-21(30-20)22(26)23-13-14-24-31(27,28)19-9-7-18(29-2)8-10-19/h3-12,24H,13-14H2,1-2H3,(H,23,26).
What are the key properties of 5-(4-acetylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide?
5-(4-acetylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 30755667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).