(1E,3E)-N-butyl-4-phenyl-N-prop-2-enylbuta-1,3-diene-1-sulfonamide

C17H23NO2S — CID 101130661

IUPAC(1E,3E)-N-butyl-4-phenyl-N-prop-2-enylbuta-1,3-diene-1-sulfonamide
SMILESC=CCN(CCCC)S(=O)(=O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C17H23NO2S/c1-3-5-15-18(14-4-2)21(19,20)16-10-9-13-17-11-7-6-8-12-17/h4,6-13,16H,2-3,5,14-15H2,1H3/b13-9+,16-10+
InChIKeyBHTXAPWIZIOKRR-WVLBTEBZSA-N
MW305.44 g/mol
LogP3.83
Rot. Bonds9

About (1E,3E)-N-butyl-4-phenyl-N-prop-2-enylbuta-1,3-diene-1-sulfonamide

(1E,3E)-N-butyl-4-phenyl-N-prop-2-enylbuta-1,3-diene-1-sulfonamide (PubChem CID 101130661) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is (1E,3E)-N-butyl-4-phenyl-N-prop-2-enylbuta-1,3-diene-1-sulfonamide.

Molecular Properties

Compound Name(1E,3E)-N-butyl-4-phenyl-N-prop-2-enylbuta-1,3-diene-1-sulfonamide
PubChem CID101130661
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name(1E,3E)-N-butyl-4-phenyl-N-prop-2-enylbuta-1,3-diene-1-sulfonamide
SMILESC=CCN(CCCC)S(=O)(=O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C17H23NO2S/c1-3-5-15-18(14-4-2)21(19,20)16-10-9-13-17-11-7-6-8-12-17/h4,6-13,16H,2-3,5,14-15H2,1H3/b13-9+,16-10+
InChIKeyBHTXAPWIZIOKRR-WVLBTEBZSA-N
XLogP3.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E,3E)-N-butyl-4-phenyl-N-prop-2-enylbuta-1,3-diene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1E,3E)-N,N-dimethyl-4-phenylbuta-1,3-diene-1-sulfonamide
CID 15075079
(1E,3E)-N-but-3-enyl-N-[(4-chlorophenyl)methyl]-4-phenylbuta-1,3-diene-1-sulfonamide
CID 101130664
(E)-N-ethyl-N-(3-hydroxypropyl)-2-phenylethenesulfonamide
CID 115755506
N-butyl-N-phenylethenesulfonamide
CID 129322798
3-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]propanoic acid
CID 55028770
2-phenylethenesulfonate;tetraoctylazanium
CID 118874939
[(3Z)-octa-1,3-dienyl]benzene
CID 154692518
2-[butyl(2-phenylethenylsulfonyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3957883
[(1E,3E)-4-methylocta-1,3-dienyl]benzene
CID 13273746
(E)-2-phenylethenesulfonic acid;prop-2-enoic acid
CID 87308391
N-butyl-N-phenylprop-2-enamide
CID 43619884
N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide
CID 114795839

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-N-butyl-4-phenyl-N-prop-2-enylbuta-1,3-diene-1-sulfonamide?
The IUPAC name of (1E,3E)-N-butyl-4-phenyl-N-prop-2-enylbuta-1,3-diene-1-sulfonamide (CID 101130661) is (1E,3E)-N-butyl-4-phenyl-N-prop-2-enylbuta-1,3-diene-1-sulfonamide.
What is the SMILES notation for (1E,3E)-N-butyl-4-phenyl-N-prop-2-enylbuta-1,3-diene-1-sulfonamide?
The canonical SMILES for (1E,3E)-N-butyl-4-phenyl-N-prop-2-enylbuta-1,3-diene-1-sulfonamide is C=CCN(CCCC)S(=O)(=O)/C=C/C=C/c1ccccc1.
What is the InChIKey of (1E,3E)-N-butyl-4-phenyl-N-prop-2-enylbuta-1,3-diene-1-sulfonamide?
The InChIKey is BHTXAPWIZIOKRR-WVLBTEBZSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-3-5-15-18(14-4-2)21(19,20)16-10-9-13-17-11-7-6-8-12-17/h4,6-13,16H,2-3,5,14-15H2,1H3/b13-9+,16-10+.
What are the key properties of (1E,3E)-N-butyl-4-phenyl-N-prop-2-enylbuta-1,3-diene-1-sulfonamide?
(1E,3E)-N-butyl-4-phenyl-N-prop-2-enylbuta-1,3-diene-1-sulfonamide has a molecular weight of 305.44 g/mol, XLogP of 3.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-N-butyl-4-phenyl-N-prop-2-enylbuta-1,3-diene-1-sulfonamide is sourced from PubChem (CID 101130661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).