N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C19H23N3O5S — CID 42991463

IUPACN-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(/C=N/NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1
InChIInChI=1S/C19H23N3O5S/c1-15-2-6-17(27-15)14-20-21-19(23)9-5-16-3-7-18(8-4-16)28(24,25)22-10-12-26-13-11-22/h2-4,6-8,14H,5,9-13H2,1H3,(H,21,23)/b20-14+
InChIKeyFAUXWGFRCOQXGX-XSFVSMFZSA-N
MW405.48 g/mol
LogP1.69
Rot. Bonds7

About N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 42991463) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID42991463
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(/C=N/NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1
InChIInChI=1S/C19H23N3O5S/c1-15-2-6-17(27-15)14-20-21-19(23)9-5-16-3-7-18(8-4-16)28(24,25)22-10-12-26-13-11-22/h2-4,6-8,14H,5,9-13H2,1H3,(H,21,23)/b20-14+
InChIKeyFAUXWGFRCOQXGX-XSFVSMFZSA-N
XLogP1.69
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.69
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-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42991439
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide
CID 42991437
N-[(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2351057
N-[(3,4-dichlorophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2642036
N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42991466
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(E)-(2-nitrophenyl)methylideneamino]propanamide
CID 42991453
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 43948612
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide
CID 6219763
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
N-(2-hydroxy-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2103502

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 42991463) is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is Cc1ccc(/C=N/NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1.
What is the InChIKey of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is FAUXWGFRCOQXGX-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-15-2-6-17(27-15)14-20-21-19(23)9-5-16-3-7-18(8-4-16)28(24,25)22-10-12-26-13-11-22/h2-4,6-8,14H,5,9-13H2,1H3,(H,21,23)/b20-14+.
What are the key properties of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 405.48 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 42991463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).