4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide

C21H25N3O4S — CID 9359416

IUPAC4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C(/C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H25N3O4S/c1-16(22-23-21(25)18-6-10-19(28-2)11-7-18)17-8-12-20(13-9-17)29(26,27)24-14-4-3-5-15-24/h6-13H,3-5,14-15H2,1-2H3,(H,23,25)/b22-16-
InChIKeyHJOJFBPKDKCNLR-JWGURIENSA-N
MW415.52 g/mol
LogP3.02
Rot. Bonds6

About 4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide

4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide (PubChem CID 9359416) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide
PubChem CID9359416
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C(/C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H25N3O4S/c1-16(22-23-21(25)18-6-10-19(28-2)11-7-18)17-8-12-20(13-9-17)29(26,27)24-14-4-3-5-15-24/h6-13H,3-5,14-15H2,1-2H3,(H,23,25)/b22-16-
InChIKeyHJOJFBPKDKCNLR-JWGURIENSA-N
XLogP3.02
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.02
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

4-(azepan-1-ylsulfonyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 7772876
N-[(Z)-butan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9465901
2-cyano-N-[1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide
CID 75601364
1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone
CID 4844704
N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3295556
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135775289
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 6270425
N-[(Z)-hexan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9465902
2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824089
N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385815
N-[1-(4-methoxyphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 78625788
methyl 4-piperidin-1-ylsulfonylbenzoate
CID 1428549

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide (CID 9359416) is 4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide is COc1ccc(C(=O)N/N=C(/C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide?
The InChIKey is HJOJFBPKDKCNLR-JWGURIENSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-16(22-23-21(25)18-6-10-19(28-2)11-7-18)17-8-12-20(13-9-17)29(26,27)24-14-4-3-5-15-24/h6-13H,3-5,14-15H2,1-2H3,(H,23,25)/b22-16-.
What are the key properties of 4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide?
4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide has a molecular weight of 415.52 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 9359416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).