N-[(E)-1-(3-methoxyphenyl)ethylideneamino]-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide

C26H35N3O4S — CID 23098507

IUPACN-[(E)-1-(3-methoxyphenyl)ethylideneamino]-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1cccc(/C(C)=N/NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)c1
InChIInChI=1S/C26H35N3O4S/c1-16-17(2)19(4)25(20(5)18(16)3)34(31,32)29-13-11-22(12-14-29)26(30)28-27-21(6)23-9-8-10-24(15-23)33-7/h8-10,15,22H,11-14H2,1-7H3,(H,28,30)/b27-21+
InChIKeyZRMPZIOVMJMVSK-SZXQPVLSSA-N
MW485.65 g/mol
LogP4.18
Rot. Bonds6

About N-[(E)-1-(3-methoxyphenyl)ethylideneamino]-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide

N-[(E)-1-(3-methoxyphenyl)ethylideneamino]-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 23098507) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is N-[(E)-1-(3-methoxyphenyl)ethylideneamino]-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(3-methoxyphenyl)ethylideneamino]-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID23098507
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC NameN-[(E)-1-(3-methoxyphenyl)ethylideneamino]-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1cccc(/C(C)=N/NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)c1
InChIInChI=1S/C26H35N3O4S/c1-16-17(2)19(4)25(20(5)18(16)3)34(31,32)29-13-11-22(12-14-29)26(30)28-27-21(6)23-9-8-10-24(15-23)33-7/h8-10,15,22H,11-14H2,1-7H3,(H,28,30)/b27-21+
InChIKeyZRMPZIOVMJMVSK-SZXQPVLSSA-N
XLogP4.18
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-(4-chlorophenyl)sulfonyl-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide
CID 17368336
1-(4-methylphenyl)sulfonyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]piperidine-4-carboxamide
CID 20846863
N-[1-(3-methoxyphenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 1388948
1-(3-acetylphenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 8714129
N-[1-[3-[(5-ethylthiophene-3-carbonyl)amino]phenyl]ethylideneamino]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 171316398
[1-(3-methoxyphenyl)ethylideneamino]urea
CID 3676916
3,5-dimethoxy-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]benzamide
CID 9461084
N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4227241
(3-methoxyphenyl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate
CID 27026066
N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide
CID 922383
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 53075955
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46590373

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-methoxyphenyl)ethylideneamino]-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(E)-1-(3-methoxyphenyl)ethylideneamino]-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide (CID 23098507) is N-[(E)-1-(3-methoxyphenyl)ethylideneamino]-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-(3-methoxyphenyl)ethylideneamino]-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(E)-1-(3-methoxyphenyl)ethylideneamino]-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide is COc1cccc(/C(C)=N/NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)c1.
What is the InChIKey of N-[(E)-1-(3-methoxyphenyl)ethylideneamino]-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is ZRMPZIOVMJMVSK-SZXQPVLSSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-16-17(2)19(4)25(20(5)18(16)3)34(31,32)29-13-11-22(12-14-29)26(30)28-27-21(6)23-9-8-10-24(15-23)33-7/h8-10,15,22H,11-14H2,1-7H3,(H,28,30)/b27-21+.
What are the key properties of N-[(E)-1-(3-methoxyphenyl)ethylideneamino]-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(E)-1-(3-methoxyphenyl)ethylideneamino]-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 485.65 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-methoxyphenyl)ethylideneamino]-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 23098507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).