(E)-N-[3-(dimethylamino)propyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide

C17H27N3O3S — CID 78874399

IUPAC(E)-N-[3-(dimethylamino)propyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
SMILESCC(C)NS(=O)(=O)c1ccc(/C=C/C(=O)NCCCN(C)C)cc1
InChIInChI=1S/C17H27N3O3S/c1-14(2)19-24(22,23)16-9-6-15(7-10-16)8-11-17(21)18-12-5-13-20(3)4/h6-11,14,19H,5,12-13H2,1-4H3,(H,18,21)/b11-8+
InChIKeyKSTJAWHMMAIESV-DHZHZOJOSA-N
MW353.49 g/mol
LogP1.45
Rot. Bonds9

About (E)-N-[3-(dimethylamino)propyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide

(E)-N-[3-(dimethylamino)propyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 78874399) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is (E)-N-[3-(dimethylamino)propyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(dimethylamino)propyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
PubChem CID78874399
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name(E)-N-[3-(dimethylamino)propyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
SMILESCC(C)NS(=O)(=O)c1ccc(/C=C/C(=O)NCCCN(C)C)cc1
InChIInChI=1S/C17H27N3O3S/c1-14(2)19-24(22,23)16-9-6-15(7-10-16)8-11-17(21)18-12-5-13-20(3)4/h6-11,14,19H,5,12-13H2,1-4H3,(H,18,21)/b11-8+
InChIKeyKSTJAWHMMAIESV-DHZHZOJOSA-N
XLogP1.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(dimethylamino)propyl]prop-2-enamide
CID 76859723
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232
(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 98926306
N-[3-(dimethylamino)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 2873871
methyl 4-[3-[3-(dimethylamino)propylamino]-3-oxoprop-1-enyl]benzoate
CID 76859713
N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 78781263
(E)-N-[3-(dimethylamino)propyl]-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110497194
3-(1,3-benzodioxol-5-yl)-N-[3-(dimethylamino)propyl]prop-2-enamide
CID 2890519
(Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
CID 92971155
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(diethylamino)propyl]prop-2-enamide
CID 5137889
(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide
CID 82153029
(E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
CID 55593221

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(dimethylamino)propyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[3-(dimethylamino)propyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide (CID 78874399) is (E)-N-[3-(dimethylamino)propyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(dimethylamino)propyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[3-(dimethylamino)propyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide is CC(C)NS(=O)(=O)c1ccc(/C=C/C(=O)NCCCN(C)C)cc1.
What is the InChIKey of (E)-N-[3-(dimethylamino)propyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is KSTJAWHMMAIESV-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-14(2)19-24(22,23)16-9-6-15(7-10-16)8-11-17(21)18-12-5-13-20(3)4/h6-11,14,19H,5,12-13H2,1-4H3,(H,18,21)/b11-8+.
What are the key properties of (E)-N-[3-(dimethylamino)propyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide?
(E)-N-[3-(dimethylamino)propyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 353.49 g/mol, XLogP of 1.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(dimethylamino)propyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 78874399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).