N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]furan-2-carboxamide

C23H22N4O4S — CID 18575340

IUPACN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1)c1ccco1
InChIInChI=1S/C23H22N4O4S/c28-23(21-6-3-15-31-21)24-17-7-9-18(10-8-17)32(29,30)27-13-11-16(12-14-27)22-25-19-4-1-2-5-20(19)26-22/h1-10,15-16H,11-14H2,(H,24,28)(H,25,26)
InChIKeyWXRFODPSUHPJCR-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.98
Rot. Bonds5

About N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]furan-2-carboxamide

N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]furan-2-carboxamide (PubChem CID 18575340) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]furan-2-carboxamide
PubChem CID18575340
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC NameN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1)c1ccco1
InChIInChI=1S/C23H22N4O4S/c28-23(21-6-3-15-31-21)24-17-7-9-18(10-8-17)32(29,30)27-13-11-16(12-14-27)22-25-19-4-1-2-5-20(19)26-22/h1-10,15-16H,11-14H2,(H,24,28)(H,25,26)
InChIKeyWXRFODPSUHPJCR-UHFFFAOYSA-N
XLogP3.98
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-fluorobenzamide
CID 16802929
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
CID 29043662
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-chloro-5-nitrobenzamide
CID 121038062
2-[[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylanilino]methylidene]propanedinitrile
CID 168543700
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-(2-methylphenoxy)acetamide
CID 29043701
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 121038084
4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 3689763
molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 142409926
[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 3223538
2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18268675
3-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168558882
2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582836

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]furan-2-carboxamide (CID 18575340) is N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]furan-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1)c1ccco1.
What is the InChIKey of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]furan-2-carboxamide?
The InChIKey is WXRFODPSUHPJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c28-23(21-6-3-15-31-21)24-17-7-9-18(10-8-17)32(29,30)27-13-11-16(12-14-27)22-25-19-4-1-2-5-20(19)26-22/h1-10,15-16H,11-14H2,(H,24,28)(H,25,26).
What are the key properties of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]furan-2-carboxamide?
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]furan-2-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]furan-2-carboxamide is sourced from PubChem (CID 18575340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).