5-(4-nitrophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide

C22H21N3O6S — CID 4572523

IUPAC5-(4-nitrophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C22H21N3O6S/c26-22(21-12-11-20(31-21)16-7-9-18(10-8-16)25(27)28)23-17-5-4-6-19(15-17)32(29,30)24-13-2-1-3-14-24/h4-12,15H,1-3,13-14H2,(H,23,26)
InChIKeyUAQCKOCXXGHHLU-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.28
Rot. Bonds6

About 5-(4-nitrophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide

5-(4-nitrophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide (PubChem CID 4572523) has the molecular formula C22H21N3O6S and a molecular weight of 455.49 g/mol. Its IUPAC name is 5-(4-nitrophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-nitrophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
PubChem CID4572523
Molecular FormulaC22H21N3O6S
Molecular Weight455.49 g/mol
Exact Mass455.12
IUPAC Name5-(4-nitrophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C22H21N3O6S/c26-22(21-12-11-20(31-21)16-7-9-18(10-8-16)25(27)28)23-17-5-4-6-19(15-17)32(29,30)24-13-2-1-3-14-24/h4-12,15H,1-3,13-14H2,(H,23,26)
InChIKeyUAQCKOCXXGHHLU-UHFFFAOYSA-N
XLogP4.28
TPSA122.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)phenyl]-3,5-dinitrobenzamide
CID 13098766
1-(4-nitrophenyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea
CID 8002734
3-nitro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759828
N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 773409
N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 3127976
N-(3-morpholin-4-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide
CID 17145961
2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 1381657
5-(4-acetylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 2557228
[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] 4-nitrobenzoate
CID 71904990
5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 4791478
ethyl 3-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]-5-nitrobenzoate
CID 25444278
N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2965881

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(4-nitrophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide (CID 4572523) is 5-(4-nitrophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-nitrophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-nitrophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of 5-(4-nitrophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide?
The InChIKey is UAQCKOCXXGHHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O6S/c26-22(21-12-11-20(31-21)16-7-9-18(10-8-16)25(27)28)23-17-5-4-6-19(15-17)32(29,30)24-13-2-1-3-14-24/h4-12,15H,1-3,13-14H2,(H,23,26).
What are the key properties of 5-(4-nitrophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide?
5-(4-nitrophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide is sourced from PubChem (CID 4572523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).