N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C21H25N3O5S — CID 42991466

IUPACN-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1ccccc1/C=N/NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H25N3O5S/c1-28-20-5-3-2-4-18(20)16-22-23-21(25)11-8-17-6-9-19(10-7-17)30(26,27)24-12-14-29-15-13-24/h2-7,9-10,16H,8,11-15H2,1H3,(H,23,25)/b22-16+
InChIKeyQUHUAOCTLGZPHD-CJLVFECKSA-N
MW431.51 g/mol
LogP1.80
Rot. Bonds8

About N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 42991466) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID42991466
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1ccccc1/C=N/NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H25N3O5S/c1-28-20-5-3-2-4-18(20)16-22-23-21(25)11-8-17-6-9-19(10-7-17)30(26,27)24-12-14-29-15-13-24/h2-7,9-10,16H,8,11-15H2,1H3,(H,23,25)/b22-16+
InChIKeyQUHUAOCTLGZPHD-CJLVFECKSA-N
XLogP1.80
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2351057
N-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42991439
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(E)-(2-nitrophenyl)methylideneamino]propanamide
CID 42991453
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide
CID 42991437
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42991463
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide
CID 6219763
N-[(3,4-dichlorophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2642036
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5426268
1-(2-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)methanimine
CID 5155615
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42995329
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 42991466) is N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is COc1ccccc1/C=N/NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is QUHUAOCTLGZPHD-CJLVFECKSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-28-20-5-3-2-4-18(20)16-22-23-21(25)11-8-17-6-9-19(10-7-17)30(26,27)24-12-14-29-15-13-24/h2-7,9-10,16H,8,11-15H2,1H3,(H,23,25)/b22-16+.
What are the key properties of N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 431.51 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 42991466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).