1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide

C25H24N4O4S — CID 41264253

IUPAC1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide
SMILESN#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)NNC(=O)Cc2cccc3ccccc23)CC1
InChIInChI=1S/C25H24N4O4S/c26-17-21-7-2-4-11-23(21)34(32,33)29-14-12-19(13-15-29)25(31)28-27-24(30)16-20-9-5-8-18-6-1-3-10-22(18)20/h1-11,19H,12-16H2,(H,27,30)(H,28,31)
InChIKeyJBEHHEQAGSODQU-UHFFFAOYSA-N
MW476.56 g/mol
LogP2.50
Rot. Bonds5

About 1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide

1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide (PubChem CID 41264253) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide
PubChem CID41264253
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide
SMILESN#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)NNC(=O)Cc2cccc3ccccc23)CC1
InChIInChI=1S/C25H24N4O4S/c26-17-21-7-2-4-11-23(21)34(32,33)29-14-12-19(13-15-29)25(31)28-27-24(30)16-20-9-5-8-18-6-1-3-10-22(18)20/h1-11,19H,12-16H2,(H,27,30)(H,28,31)
InChIKeyJBEHHEQAGSODQU-UHFFFAOYSA-N
XLogP2.50
TPSA119.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-difluorophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide
CID 25410031
1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 26928378
1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide
CID 55414122
1-(2-cyanophenyl)sulfonyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46466984
1-(2-cyanophenyl)sulfonyl-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide
CID 27163714
1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 9092358
2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile
CID 8868910
1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 9180398
1-(2-cyanophenyl)sulfonyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 38092473
2-[4-(1H-indole-3-carbonyl)piperidin-1-yl]sulfonylbenzonitrile
CID 110643547
1-(2-cyanophenyl)sulfonyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide
CID 55415351
1-(2-cyanophenyl)sulfonyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]piperidine-4-carboxamide
CID 46628179

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide (CID 41264253) is 1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide is N#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)NNC(=O)Cc2cccc3ccccc23)CC1.
What is the InChIKey of 1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide?
The InChIKey is JBEHHEQAGSODQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c26-17-21-7-2-4-11-23(21)34(32,33)29-14-12-19(13-15-29)25(31)28-27-24(30)16-20-9-5-8-18-6-1-3-10-22(18)20/h1-11,19H,12-16H2,(H,27,30)(H,28,31).
What are the key properties of 1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide?
1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide has a molecular weight of 476.56 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 41264253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).