(E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-N-methyl-6-pyridin-3-ylhex-5-enamide

C26H28ClN3O3S — CID 10255332

IUPAC(E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-N-methyl-6-pyridin-3-ylhex-5-enamide
SMILESCNC(=O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
InChIInChI=1S/C26H28ClN3O3S/c1-28-26(31)7-3-2-6-25(22-5-4-17-29-19-22)21-10-8-20(9-11-21)16-18-30-34(32,33)24-14-12-23(27)13-15-24/h4-6,8-15,17,19,30H,2-3,7,16,18H2,1H3,(H,28,31)/b25-6+
InChIKeyYERVHMNPCKNRIB-KXEZBXAJSA-N
MW498.05 g/mol
LogP4.60
Rot. Bonds11

About (E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-N-methyl-6-pyridin-3-ylhex-5-enamide

(E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-N-methyl-6-pyridin-3-ylhex-5-enamide (PubChem CID 10255332) has the molecular formula C26H28ClN3O3S and a molecular weight of 498.05 g/mol. Its IUPAC name is (E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-N-methyl-6-pyridin-3-ylhex-5-enamide.

Molecular Properties

Compound Name(E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-N-methyl-6-pyridin-3-ylhex-5-enamide
PubChem CID10255332
Molecular FormulaC26H28ClN3O3S
Molecular Weight498.05 g/mol
Exact Mass497.15
IUPAC Name(E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-N-methyl-6-pyridin-3-ylhex-5-enamide
SMILESCNC(=O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
InChIInChI=1S/C26H28ClN3O3S/c1-28-26(31)7-3-2-6-25(22-5-4-17-29-19-22)21-10-8-20(9-11-21)16-18-30-34(32,33)24-14-12-23(27)13-15-24/h4-6,8-15,17,19,30H,2-3,7,16,18H2,1H3,(H,28,31)/b25-6+
InChIKeyYERVHMNPCKNRIB-KXEZBXAJSA-N
XLogP4.60
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.05
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-N-methyl-6-pyridin-3-ylhex-5-enamide?
The IUPAC name of (E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-N-methyl-6-pyridin-3-ylhex-5-enamide (CID 10255332) is (E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-N-methyl-6-pyridin-3-ylhex-5-enamide.
What is the SMILES notation for (E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-N-methyl-6-pyridin-3-ylhex-5-enamide?
The canonical SMILES for (E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-N-methyl-6-pyridin-3-ylhex-5-enamide is CNC(=O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1.
What is the InChIKey of (E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-N-methyl-6-pyridin-3-ylhex-5-enamide?
The InChIKey is YERVHMNPCKNRIB-KXEZBXAJSA-N. The full InChI is InChI=1S/C26H28ClN3O3S/c1-28-26(31)7-3-2-6-25(22-5-4-17-29-19-22)21-10-8-20(9-11-21)16-18-30-34(32,33)24-14-12-23(27)13-15-24/h4-6,8-15,17,19,30H,2-3,7,16,18H2,1H3,(H,28,31)/b25-6+.
What are the key properties of (E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-N-methyl-6-pyridin-3-ylhex-5-enamide?
(E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-N-methyl-6-pyridin-3-ylhex-5-enamide has a molecular weight of 498.05 g/mol, XLogP of 4.60, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-N-methyl-6-pyridin-3-ylhex-5-enamide is sourced from PubChem (CID 10255332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).