N-(cinnamylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C22H25N3O3S — CID 5216913

IUPACN-(cinnamylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NN=CC=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O3S/c1-18-9-11-21(12-10-18)29(27,28)25-16-13-20(14-17-25)22(26)24-23-15-5-8-19-6-3-2-4-7-19/h2-12,15,20H,13-14,16-17H2,1H3,(H,24,26)
InChIKeyICDFRXPAIFBVBX-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.21
Rot. Bonds6

About N-(cinnamylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-(cinnamylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 5216913) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-(cinnamylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cinnamylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID5216913
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-(cinnamylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NN=CC=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O3S/c1-18-9-11-21(12-10-18)29(27,28)25-16-13-20(14-17-25)22(26)24-23-15-5-8-19-6-3-2-4-7-19/h2-12,15,20H,13-14,16-17H2,1H3,(H,24,26)
InChIKeyICDFRXPAIFBVBX-UHFFFAOYSA-N
XLogP3.21
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 6283209
1-(4-methylphenyl)sulfonyl-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]piperidine-4-carboxamide
CID 8900427
1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrrol-2-yl)methylideneamino]piperidine-4-carboxamide
CID 53356587
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 136863496
N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46652612
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40601128
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46495512
N-(1,3-benzodioxol-5-ylmethylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1035452
N-[(E)-(2-bromo-3-phenylprop-2-enylidene)amino]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 84582907
1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 8795286
N-(3,3-diphenylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 26796402

Frequently Asked Questions

What is the IUPAC name of N-(cinnamylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(cinnamylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 5216913) is N-(cinnamylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(cinnamylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(cinnamylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN=CC=Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(cinnamylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is ICDFRXPAIFBVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-18-9-11-21(12-10-18)29(27,28)25-16-13-20(14-17-25)22(26)24-23-15-5-8-19-6-3-2-4-7-19/h2-12,15,20H,13-14,16-17H2,1H3,(H,24,26).
What are the key properties of N-(cinnamylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-(cinnamylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cinnamylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5216913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).