1-(2-cyanophenyl)sulfonyl-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide

C23H22N4O5S — CID 27163714

IUPAC1-(2-cyanophenyl)sulfonyl-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)oc2ccccc12
InChIInChI=1S/C23H22N4O5S/c1-15-18-7-3-4-8-19(18)32-21(15)23(29)26-25-22(28)16-10-12-27(13-11-16)33(30,31)20-9-5-2-6-17(20)14-24/h2-9,16H,10-13H2,1H3,(H,25,28)(H,26,29)
InChIKeyJBBNNKDGSGCXCK-UHFFFAOYSA-N
MW466.52 g/mol
LogP2.47
Rot. Bonds4

About 1-(2-cyanophenyl)sulfonyl-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide

1-(2-cyanophenyl)sulfonyl-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide (PubChem CID 27163714) has the molecular formula C23H22N4O5S and a molecular weight of 466.52 g/mol. Its IUPAC name is 1-(2-cyanophenyl)sulfonyl-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(2-cyanophenyl)sulfonyl-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide
PubChem CID27163714
Molecular FormulaC23H22N4O5S
Molecular Weight466.52 g/mol
Exact Mass466.13
IUPAC Name1-(2-cyanophenyl)sulfonyl-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)oc2ccccc12
InChIInChI=1S/C23H22N4O5S/c1-15-18-7-3-4-8-19(18)32-21(15)23(29)26-25-22(28)16-10-12-27(13-11-16)33(30,31)20-9-5-2-6-17(20)14-24/h2-9,16H,10-13H2,1H3,(H,25,28)(H,26,29)
InChIKeyJBBNNKDGSGCXCK-UHFFFAOYSA-N
XLogP2.47
TPSA132.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide
CID 41264253
1-(5-cyano-2-pyridinyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide
CID 46690725
1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide
CID 27685627
1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 26928378
tert-butyl 3-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]piperidine-1-carboxylate
CID 24515671
N'-[2-(2-cyanophenyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 35825702
1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide
CID 55414122
1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 9180398
1-(2-cyanophenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 9081274
3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide
CID 24644300
2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile
CID 8868910
1-(2-cyanophenyl)sulfonyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46466984

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)sulfonyl-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(2-cyanophenyl)sulfonyl-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide (CID 27163714) is 1-(2-cyanophenyl)sulfonyl-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(2-cyanophenyl)sulfonyl-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(2-cyanophenyl)sulfonyl-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide is Cc1c(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)oc2ccccc12.
What is the InChIKey of 1-(2-cyanophenyl)sulfonyl-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide?
The InChIKey is JBBNNKDGSGCXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5S/c1-15-18-7-3-4-8-19(18)32-21(15)23(29)26-25-22(28)16-10-12-27(13-11-16)33(30,31)20-9-5-2-6-17(20)14-24/h2-9,16H,10-13H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 1-(2-cyanophenyl)sulfonyl-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide?
1-(2-cyanophenyl)sulfonyl-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide has a molecular weight of 466.52 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)sulfonyl-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 27163714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).