N-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]naphthalene-1-sulfonamide

C26H25N3O2S — CID 155519166

IUPACN-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCCNC/C=C/c1ccc(-c2cccnc2)cc1)c1cccc2ccccc12
InChIInChI=1S/C26H25N3O2S/c30-32(31,26-11-3-8-23-7-1-2-10-25(23)26)29-19-18-27-16-4-6-21-12-14-22(15-13-21)24-9-5-17-28-20-24/h1-15,17,20,27,29H,16,18-19H2/b6-4+
InChIKeyIUIVPQPYDBXFKD-GQCTYLIASA-N
MW443.57 g/mol
LogP4.48
Rot. Bonds9

About N-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]naphthalene-1-sulfonamide

N-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]naphthalene-1-sulfonamide (PubChem CID 155519166) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]naphthalene-1-sulfonamide
PubChem CID155519166
Molecular FormulaC26H25N3O2S
Molecular Weight443.57 g/mol
Exact Mass443.17
IUPAC NameN-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCCNC/C=C/c1ccc(-c2cccnc2)cc1)c1cccc2ccccc12
InChIInChI=1S/C26H25N3O2S/c30-32(31,26-11-3-8-23-7-1-2-10-25(23)26)29-19-18-27-16-4-6-21-12-14-22(15-13-21)24-9-5-17-28-20-24/h1-15,17,20,27,29H,16,18-19H2/b6-4+
InChIKeyIUIVPQPYDBXFKD-GQCTYLIASA-N
XLogP4.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]naphthalene-1-sulfonamide (CID 155519166) is N-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]naphthalene-1-sulfonamide is O=S(=O)(NCCNC/C=C/c1ccc(-c2cccnc2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]naphthalene-1-sulfonamide?
The InChIKey is IUIVPQPYDBXFKD-GQCTYLIASA-N. The full InChI is InChI=1S/C26H25N3O2S/c30-32(31,26-11-3-8-23-7-1-2-10-25(23)26)29-19-18-27-16-4-6-21-12-14-22(15-13-21)24-9-5-17-28-20-24/h1-15,17,20,27,29H,16,18-19H2/b6-4+.
What are the key properties of N-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]naphthalene-1-sulfonamide?
N-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]naphthalene-1-sulfonamide has a molecular weight of 443.57 g/mol, XLogP of 4.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 155519166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).