(2E)-N-phenyl-2-[(Z)-prop-1-enyl]-N-propylpenta-2,4-diene-1-sulfonamide

C17H23NO2S — CID 143745619

IUPAC(2E)-N-phenyl-2-[(Z)-prop-1-enyl]-N-propylpenta-2,4-diene-1-sulfonamide
SMILESC=C/C=C(\C=C/C)CS(=O)(=O)N(CCC)c1ccccc1
InChIInChI=1S/C17H23NO2S/c1-4-10-16(11-5-2)15-21(19,20)18(14-6-3)17-12-8-7-9-13-17/h4-5,7-13H,1,6,14-15H2,2-3H3/b11-5-,16-10+
InChIKeyXETRDMSINQAYIB-GJOSERSASA-N
MW305.44 g/mol
LogP3.92
Rot. Bonds8

About (2E)-N-phenyl-2-[(Z)-prop-1-enyl]-N-propylpenta-2,4-diene-1-sulfonamide

(2E)-N-phenyl-2-[(Z)-prop-1-enyl]-N-propylpenta-2,4-diene-1-sulfonamide (PubChem CID 143745619) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is (2E)-N-phenyl-2-[(Z)-prop-1-enyl]-N-propylpenta-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name(2E)-N-phenyl-2-[(Z)-prop-1-enyl]-N-propylpenta-2,4-diene-1-sulfonamide
PubChem CID143745619
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name(2E)-N-phenyl-2-[(Z)-prop-1-enyl]-N-propylpenta-2,4-diene-1-sulfonamide
SMILESC=C/C=C(\C=C/C)CS(=O)(=O)N(CCC)c1ccccc1
InChIInChI=1S/C17H23NO2S/c1-4-10-16(11-5-2)15-21(19,20)18(14-6-3)17-12-8-7-9-13-17/h4-5,7-13H,1,6,14-15H2,2-3H3/b11-5-,16-10+
InChIKeyXETRDMSINQAYIB-GJOSERSASA-N
XLogP3.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-phenyl-2-[(Z)-prop-1-enyl]-N-propylpenta-2,4-diene-1-sulfonamide?
The IUPAC name of (2E)-N-phenyl-2-[(Z)-prop-1-enyl]-N-propylpenta-2,4-diene-1-sulfonamide (CID 143745619) is (2E)-N-phenyl-2-[(Z)-prop-1-enyl]-N-propylpenta-2,4-diene-1-sulfonamide.
What is the SMILES notation for (2E)-N-phenyl-2-[(Z)-prop-1-enyl]-N-propylpenta-2,4-diene-1-sulfonamide?
The canonical SMILES for (2E)-N-phenyl-2-[(Z)-prop-1-enyl]-N-propylpenta-2,4-diene-1-sulfonamide is C=C/C=C(\C=C/C)CS(=O)(=O)N(CCC)c1ccccc1.
What is the InChIKey of (2E)-N-phenyl-2-[(Z)-prop-1-enyl]-N-propylpenta-2,4-diene-1-sulfonamide?
The InChIKey is XETRDMSINQAYIB-GJOSERSASA-N. The full InChI is InChI=1S/C17H23NO2S/c1-4-10-16(11-5-2)15-21(19,20)18(14-6-3)17-12-8-7-9-13-17/h4-5,7-13H,1,6,14-15H2,2-3H3/b11-5-,16-10+.
What are the key properties of (2E)-N-phenyl-2-[(Z)-prop-1-enyl]-N-propylpenta-2,4-diene-1-sulfonamide?
(2E)-N-phenyl-2-[(Z)-prop-1-enyl]-N-propylpenta-2,4-diene-1-sulfonamide has a molecular weight of 305.44 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-phenyl-2-[(Z)-prop-1-enyl]-N-propylpenta-2,4-diene-1-sulfonamide is sourced from PubChem (CID 143745619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).