(E)-3-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]prop-2-enamide

C17H19N3O3S — CID 10246976

IUPAC(E)-3-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCCNS(=O)(=O)c1ccccn1
InChIInChI=1S/C17H19N3O3S/c21-16(11-10-15-7-2-1-3-8-15)18-13-6-14-20-24(22,23)17-9-4-5-12-19-17/h1-5,7-12,20H,6,13-14H2,(H,18,21)/b11-10+
InChIKeyXJFZYIJAQUDHAY-ZHACJKMWSA-N
MW345.42 g/mol
LogP1.58
Rot. Bonds8

About (E)-3-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]prop-2-enamide

(E)-3-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]prop-2-enamide (PubChem CID 10246976) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is (E)-3-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]prop-2-enamide
PubChem CID10246976
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name(E)-3-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCCNS(=O)(=O)c1ccccn1
InChIInChI=1S/C17H19N3O3S/c21-16(11-10-15-7-2-1-3-8-15)18-13-6-14-20-24(22,23)17-9-4-5-12-19-17/h1-5,7-12,20H,6,13-14H2,(H,18,21)/b11-10+
InChIKeyXJFZYIJAQUDHAY-ZHACJKMWSA-N
XLogP1.58
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.58
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

(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide
CID 108574860
(E)-3-(2-aminopyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]prop-2-enamide
CID 131924333
N-(2-oxo-2-pyrimidin-2-ylethyl)-3-phenylprop-2-enamide
CID 151838842
N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide
CID 76676980
N-hydroxy-6-[[(Z)-3-phenylprop-2-enoyl]amino]hexanamide
CID 87214827
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232
(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 98926306
(E)-3-(4-fluorophenyl)-N-[3-(3-pyridin-2-ylpropylamino)propyl]prop-2-enamide
CID 139762542
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085
N-[3-(2-methylbut-3-en-2-ylamino)propyl]-3-phenylprop-2-enamide
CID 87903078
3-phenyl-N-(3-pyridin-4-ylsulfanylpropyl)prop-2-enamide;hydrochloride
CID 67653231

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]prop-2-enamide (CID 10246976) is (E)-3-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]prop-2-enamide is O=C(/C=C/c1ccccc1)NCCCNS(=O)(=O)c1ccccn1.
What is the InChIKey of (E)-3-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]prop-2-enamide?
The InChIKey is XJFZYIJAQUDHAY-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-16(11-10-15-7-2-1-3-8-15)18-13-6-14-20-24(22,23)17-9-4-5-12-19-17/h1-5,7-12,20H,6,13-14H2,(H,18,21)/b11-10+.
What are the key properties of (E)-3-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]prop-2-enamide?
(E)-3-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]prop-2-enamide has a molecular weight of 345.42 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]prop-2-enamide is sourced from PubChem (CID 10246976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).