1-(4-methoxyphenyl)-N-[2-[2-(2-methyl-4-pyridinyl)ethenyl]phenyl]prop-2-ene-1-sulfonamide

C24H24N2O3S — CID 174301460

IUPAC1-(4-methoxyphenyl)-N-[2-[2-(2-methyl-4-pyridinyl)ethenyl]phenyl]prop-2-ene-1-sulfonamide
SMILESC=CC(c1ccc(OC)cc1)S(=O)(=O)Nc1ccccc1C=Cc1ccnc(C)c1
InChIInChI=1S/C24H24N2O3S/c1-4-24(21-11-13-22(29-3)14-12-21)30(27,28)26-23-8-6-5-7-20(23)10-9-19-15-16-25-18(2)17-19/h4-17,24,26H,1H2,2-3H3
InChIKeyXDEFPZJQKKLWDN-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.24
Rot. Bonds8

About 1-(4-methoxyphenyl)-N-[2-[2-(2-methyl-4-pyridinyl)ethenyl]phenyl]prop-2-ene-1-sulfonamide

1-(4-methoxyphenyl)-N-[2-[2-(2-methyl-4-pyridinyl)ethenyl]phenyl]prop-2-ene-1-sulfonamide (PubChem CID 174301460) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[2-[2-(2-methyl-4-pyridinyl)ethenyl]phenyl]prop-2-ene-1-sulfonamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[2-[2-(2-methyl-4-pyridinyl)ethenyl]phenyl]prop-2-ene-1-sulfonamide
PubChem CID174301460
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name1-(4-methoxyphenyl)-N-[2-[2-(2-methyl-4-pyridinyl)ethenyl]phenyl]prop-2-ene-1-sulfonamide
SMILESC=CC(c1ccc(OC)cc1)S(=O)(=O)Nc1ccccc1C=Cc1ccnc(C)c1
InChIInChI=1S/C24H24N2O3S/c1-4-24(21-11-13-22(29-3)14-12-21)30(27,28)26-23-8-6-5-7-20(23)10-9-19-15-16-25-18(2)17-19/h4-17,24,26H,1H2,2-3H3
InChIKeyXDEFPZJQKKLWDN-UHFFFAOYSA-N
XLogP5.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[2-[2-(2-methyl-4-pyridinyl)ethenyl]phenyl]prop-2-ene-1-sulfonamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[2-[2-(2-methyl-4-pyridinyl)ethenyl]phenyl]prop-2-ene-1-sulfonamide (CID 174301460) is 1-(4-methoxyphenyl)-N-[2-[2-(2-methyl-4-pyridinyl)ethenyl]phenyl]prop-2-ene-1-sulfonamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[2-[2-(2-methyl-4-pyridinyl)ethenyl]phenyl]prop-2-ene-1-sulfonamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[2-[2-(2-methyl-4-pyridinyl)ethenyl]phenyl]prop-2-ene-1-sulfonamide is C=CC(c1ccc(OC)cc1)S(=O)(=O)Nc1ccccc1C=Cc1ccnc(C)c1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[2-[2-(2-methyl-4-pyridinyl)ethenyl]phenyl]prop-2-ene-1-sulfonamide?
The InChIKey is XDEFPZJQKKLWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-4-24(21-11-13-22(29-3)14-12-21)30(27,28)26-23-8-6-5-7-20(23)10-9-19-15-16-25-18(2)17-19/h4-17,24,26H,1H2,2-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[2-[2-(2-methyl-4-pyridinyl)ethenyl]phenyl]prop-2-ene-1-sulfonamide?
1-(4-methoxyphenyl)-N-[2-[2-(2-methyl-4-pyridinyl)ethenyl]phenyl]prop-2-ene-1-sulfonamide has a molecular weight of 420.53 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[2-[2-(2-methyl-4-pyridinyl)ethenyl]phenyl]prop-2-ene-1-sulfonamide is sourced from PubChem (CID 174301460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).