(E)-1-cyano-2-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide

C23H23N3O3S — CID 144927734

IUPAC(E)-1-cyano-2-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide
SMILESC/C(=C(/C#N)S(N)(=O)=O)c1ccc(-c2ccc3cc(N4CCCCC4)ccc3c2)o1
InChIInChI=1S/C23H23N3O3S/c1-16(23(15-24)30(25,27)28)21-9-10-22(29-21)19-6-5-18-14-20(8-7-17(18)13-19)26-11-3-2-4-12-26/h5-10,13-14H,2-4,11-12H2,1H3,(H2,25,27,28)/b23-16+
InChIKeyNEEKOXANTPDSAP-XQNSMLJCSA-N
MW421.52 g/mol
LogP4.63
Rot. Bonds4

About (E)-1-cyano-2-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide

(E)-1-cyano-2-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide (PubChem CID 144927734) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is (E)-1-cyano-2-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-1-cyano-2-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide
PubChem CID144927734
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name(E)-1-cyano-2-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide
SMILESC/C(=C(/C#N)S(N)(=O)=O)c1ccc(-c2ccc3cc(N4CCCCC4)ccc3c2)o1
InChIInChI=1S/C23H23N3O3S/c1-16(23(15-24)30(25,27)28)21-9-10-22(29-21)19-6-5-18-14-20(8-7-17(18)13-19)26-11-3-2-4-12-26/h5-10,13-14H,2-4,11-12H2,1H3,(H2,25,27,28)/b23-16+
InChIKeyNEEKOXANTPDSAP-XQNSMLJCSA-N
XLogP4.63
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-cyano-2-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide?
The IUPAC name of (E)-1-cyano-2-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide (CID 144927734) is (E)-1-cyano-2-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide.
What is the SMILES notation for (E)-1-cyano-2-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide?
The canonical SMILES for (E)-1-cyano-2-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide is C/C(=C(/C#N)S(N)(=O)=O)c1ccc(-c2ccc3cc(N4CCCCC4)ccc3c2)o1.
What is the InChIKey of (E)-1-cyano-2-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide?
The InChIKey is NEEKOXANTPDSAP-XQNSMLJCSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-16(23(15-24)30(25,27)28)21-9-10-22(29-21)19-6-5-18-14-20(8-7-17(18)13-19)26-11-3-2-4-12-26/h5-10,13-14H,2-4,11-12H2,1H3,(H2,25,27,28)/b23-16+.
What are the key properties of (E)-1-cyano-2-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide?
(E)-1-cyano-2-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide has a molecular weight of 421.52 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyano-2-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide is sourced from PubChem (CID 144927734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).