N-(4-acetamidophenyl)-1-[5-(5-methyl-1H-pyrazol-3-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide

C22H25N5O5S — CID 50787075

IUPACN-(4-acetamidophenyl)-1-[5-(5-methyl-1H-pyrazol-3-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)cc1
InChIInChI=1S/C22H25N5O5S/c1-14-13-19(26-25-14)20-7-8-21(32-20)33(30,31)27-11-9-16(10-12-27)22(29)24-18-5-3-17(4-6-18)23-15(2)28/h3-8,13,16H,9-12H2,1-2H3,(H,23,28)(H,24,29)(H,25,26)
InChIKeyKLQQRTRWGNAALE-UHFFFAOYSA-N
MW471.54 g/mol
LogP2.98
Rot. Bonds6

About N-(4-acetamidophenyl)-1-[5-(5-methyl-1H-pyrazol-3-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide

N-(4-acetamidophenyl)-1-[5-(5-methyl-1H-pyrazol-3-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 50787075) has the molecular formula C22H25N5O5S and a molecular weight of 471.54 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-[5-(5-methyl-1H-pyrazol-3-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-[5-(5-methyl-1H-pyrazol-3-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
PubChem CID50787075
Molecular FormulaC22H25N5O5S
Molecular Weight471.54 g/mol
Exact Mass471.16
IUPAC NameN-(4-acetamidophenyl)-1-[5-(5-methyl-1H-pyrazol-3-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)cc1
InChIInChI=1S/C22H25N5O5S/c1-14-13-19(26-25-14)20-7-8-21(32-20)33(30,31)27-11-9-16(10-12-27)22(29)24-18-5-3-17(4-6-18)23-15(2)28/h3-8,13,16H,9-12H2,1-2H3,(H,23,28)(H,24,29)(H,25,26)
InChIKeyKLQQRTRWGNAALE-UHFFFAOYSA-N
XLogP2.98
TPSA137.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-[5-(5-methyl-1H-pyrazol-3-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-[5-(5-methyl-1H-pyrazol-3-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide (CID 50787075) is N-(4-acetamidophenyl)-1-[5-(5-methyl-1H-pyrazol-3-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-[5-(5-methyl-1H-pyrazol-3-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-[5-(5-methyl-1H-pyrazol-3-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(-c4cc(C)[nH]n4)o3)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-[5-(5-methyl-1H-pyrazol-3-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is KLQQRTRWGNAALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5S/c1-14-13-19(26-25-14)20-7-8-21(32-20)33(30,31)27-11-9-16(10-12-27)22(29)24-18-5-3-17(4-6-18)23-15(2)28/h3-8,13,16H,9-12H2,1-2H3,(H,23,28)(H,24,29)(H,25,26).
What are the key properties of N-(4-acetamidophenyl)-1-[5-(5-methyl-1H-pyrazol-3-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide?
N-(4-acetamidophenyl)-1-[5-(5-methyl-1H-pyrazol-3-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-[5-(5-methyl-1H-pyrazol-3-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 50787075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).