N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide

C26H28N4O3S — CID 55476481

IUPACN-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CCC2)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C26H28N4O3S/c31-26(27-25-23-12-7-13-24(23)28-30(25)22-10-5-2-6-11-22)21-14-17-29(18-15-21)34(32,33)19-16-20-8-3-1-4-9-20/h1-6,8-11,16,19,21H,7,12-15,17-18H2,(H,27,31)/b19-16+
InChIKeyMDORBPSIKGSIEH-KNTRCKAVSA-N
MW476.60 g/mol
LogP4.01
Rot. Bonds6

About N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide

N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 55476481) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
PubChem CID55476481
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC NameN-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CCC2)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C26H28N4O3S/c31-26(27-25-23-12-7-13-24(23)28-30(25)22-10-5-2-6-11-22)21-14-17-29(18-15-21)34(32,33)19-16-20-8-3-1-4-9-20/h1-6,8-11,16,19,21H,7,12-15,17-18H2,(H,27,31)/b19-16+
InChIKeyMDORBPSIKGSIEH-KNTRCKAVSA-N
XLogP4.01
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 76859981
1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 26592122
(3S)-1-N,1-N-diethyl-3-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperidine-1,3-dicarboxamide
CID 51955896
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 55811905
1-[(E)-2-phenylethenyl]sulfonyl-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 26290697
N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide
CID 9480115
methyl 4,5-dimethyl-2-[[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate
CID 16550370
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 75128814
N-[2-(benzylamino)-2-oxoethyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 39821898
2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 51078002
1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 26087824
N-(3-nitrophenyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 9410934

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide (CID 55476481) is N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide is O=C(Nc1c2c(nn1-c1ccccc1)CCC2)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is MDORBPSIKGSIEH-KNTRCKAVSA-N. The full InChI is InChI=1S/C26H28N4O3S/c31-26(27-25-23-12-7-13-24(23)28-30(25)22-10-5-2-6-11-22)21-14-17-29(18-15-21)34(32,33)19-16-20-8-3-1-4-9-20/h1-6,8-11,16,19,21H,7,12-15,17-18H2,(H,27,31)/b19-16+.
What are the key properties of N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide?
N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55476481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).