N-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide

C22H24N4O4S — CID 30756951

IUPACN-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CNc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1)c1ccco1
InChIInChI=1S/C22H24N4O4S/c27-22(20-5-4-14-30-20)25-18-8-6-17(7-9-18)15-23-21-11-10-19(16-24-21)31(28,29)26-12-2-1-3-13-26/h4-11,14,16H,1-3,12-13,15H2,(H,23,24)(H,25,27)
InChIKeyVKBAVCWZBGSZJC-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.71
Rot. Bonds7

About N-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide

N-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 30756951) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide
PubChem CID30756951
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CNc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1)c1ccco1
InChIInChI=1S/C22H24N4O4S/c27-22(20-5-4-14-30-20)25-18-8-6-17(7-9-18)15-23-21-11-10-19(16-24-21)31(28,29)26-12-2-1-3-13-26/h4-11,14,16H,1-3,12-13,15H2,(H,23,24)(H,25,27)
InChIKeyVKBAVCWZBGSZJC-UHFFFAOYSA-N
XLogP3.71
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 9024535
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide
CID 113012273
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55758769
N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]furan-2-carboxamide
CID 2329057
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide
CID 3592992
N-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46593393
N-[3-[[4-(azepan-1-ylsulfonyl)-2-nitroanilino]methyl]phenyl]furan-2-carboxamide
CID 32876147
N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 55680935
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] furan-2-carboxylate
CID 2715180
N-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine
CID 70304486
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 40834225

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide (CID 30756951) is N-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(CNc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1)c1ccco1.
What is the InChIKey of N-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is VKBAVCWZBGSZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c27-22(20-5-4-14-30-20)25-18-8-6-17(7-9-18)15-23-21-11-10-19(16-24-21)31(28,29)26-12-2-1-3-13-26/h4-11,14,16H,1-3,12-13,15H2,(H,23,24)(H,25,27).
What are the key properties of N-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 30756951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).