N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide

C21H23N3O4S — CID 9069405

IUPACN-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESC=CCOc1cccc(/C=N\NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C21H23N3O4S/c1-2-13-28-19-9-5-7-17(14-19)16-22-23-21(25)18-8-6-10-20(15-18)29(26,27)24-11-3-4-12-24/h2,5-10,14-16H,1,3-4,11-13H2,(H,23,25)/b22-16-
InChIKeyZJXLPYOIQJTWQJ-JWGURIENSA-N
MW413.50 g/mol
LogP2.80
Rot. Bonds8

About N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide

N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 9069405) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID9069405
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESC=CCOc1cccc(/C=N\NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C21H23N3O4S/c1-2-13-28-19-9-5-7-17(14-19)16-22-23-21(25)18-8-6-10-20(15-18)29(26,27)24-11-3-4-12-24/h2,5-10,14-16H,1,3-4,11-13H2,(H,23,25)/b22-16-
InChIKeyZJXLPYOIQJTWQJ-JWGURIENSA-N
XLogP2.80
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide
CID 2589458
N-[(E)-(4-bromophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 6907579
N-[(3,4-dimethoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2589241
4-(benzenesulfonamido)-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6040213
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135622247
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135675587
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8972352
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 2589477
3-pyrrolidin-1-ylsulfonyl-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 3351049
N-[(4-methylsulfanylphenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 5099990
N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24979668
N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92958938

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 9069405) is N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is C=CCOc1cccc(/C=N\NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1.
What is the InChIKey of N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is ZJXLPYOIQJTWQJ-JWGURIENSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-2-13-28-19-9-5-7-17(14-19)16-22-23-21(25)18-8-6-10-20(15-18)29(26,27)24-11-3-4-12-24/h2,5-10,14-16H,1,3-4,11-13H2,(H,23,25)/b22-16-.
What are the key properties of N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 413.50 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 9069405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).