5-(4-acetylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide

C23H22N2O5S — CID 2557228

IUPAC5-(4-acetylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1
InChIInChI=1S/C23H22N2O5S/c1-16(26)17-4-6-18(7-5-17)21-12-13-22(30-21)23(27)24-19-8-10-20(11-9-19)31(28,29)25-14-2-3-15-25/h4-13H,2-3,14-15H2,1H3,(H,24,27)
InChIKeyLOGKCLKCMDYPDV-UHFFFAOYSA-N
MW438.51 g/mol
LogP4.19
Rot. Bonds6

About 5-(4-acetylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide

5-(4-acetylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide (PubChem CID 2557228) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide
PubChem CID2557228
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name5-(4-acetylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1
InChIInChI=1S/C23H22N2O5S/c1-16(26)17-4-6-18(7-5-17)21-12-13-22(30-21)23(27)24-19-8-10-20(11-9-19)31(28,29)25-14-2-3-15-25/h4-13H,2-3,14-15H2,1H3,(H,24,27)
InChIKeyLOGKCLKCMDYPDV-UHFFFAOYSA-N
XLogP4.19
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
5-(4-acetylphenyl)-N-(4-methylphenyl)furan-2-carboxamide
CID 9291217
5-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 17431155
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
methyl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]benzoate
CID 46547480
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
5-(4-nitrophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 4572523
N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55630451
N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385831

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(4-acetylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide (CID 2557228) is 5-(4-acetylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-acetylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-acetylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide is CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide?
The InChIKey is LOGKCLKCMDYPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-16(26)17-4-6-18(7-5-17)21-12-13-22(30-21)23(27)24-19-8-10-20(11-9-19)31(28,29)25-14-2-3-15-25/h4-13H,2-3,14-15H2,1H3,(H,24,27).
What are the key properties of 5-(4-acetylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide?
5-(4-acetylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide has a molecular weight of 438.51 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide is sourced from PubChem (CID 2557228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).