N-[(Z)-2-(4-methoxybenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide

C26H27NO4S — CID 46844305

IUPACN-[(Z)-2-(4-methoxybenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide
SMILESCC/C=C(\C(=O)c1ccc(OC)cc1)C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C26H27NO4S/c1-4-8-24(26(28)21-13-15-22(31-3)16-14-21)25(20-9-6-5-7-10-20)27-32(29,30)23-17-11-19(2)12-18-23/h5-18,25,27H,4H2,1-3H3/b24-8-
InChIKeyMUOSAMMYPFVSBO-GYRAYZOKSA-N
MW449.57 g/mol
LogP5.24
Rot. Bonds9

About N-[(Z)-2-(4-methoxybenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide

N-[(Z)-2-(4-methoxybenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide (PubChem CID 46844305) has the molecular formula C26H27NO4S and a molecular weight of 449.57 g/mol. Its IUPAC name is N-[(Z)-2-(4-methoxybenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-2-(4-methoxybenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide
PubChem CID46844305
Molecular FormulaC26H27NO4S
Molecular Weight449.57 g/mol
Exact Mass449.17
IUPAC NameN-[(Z)-2-(4-methoxybenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide
SMILESCC/C=C(\C(=O)c1ccc(OC)cc1)C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C26H27NO4S/c1-4-8-24(26(28)21-13-15-22(31-3)16-14-21)25(20-9-6-5-7-10-20)27-32(29,30)23-17-11-19(2)12-18-23/h5-18,25,27H,4H2,1-3H3/b24-8-
InChIKeyMUOSAMMYPFVSBO-GYRAYZOKSA-N
XLogP5.24
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.57
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-2-(4-bromobenzoyl)-1-(4-methoxyphenyl)pent-2-enyl]-4-methylbenzenesulfonamide
CID 46844527
N-[(Z)-2-(4-chlorobenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide
CID 46844306
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408
N-[(1S,2S)-3-(4-methoxyphenyl)-3-oxo-1,2-diphenylpropyl]-4-methylbenzenesulfonamide
CID 135056806
N-[1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide
CID 102027950
N-[(1R,2S)-1-bromo-3-(4-methoxyphenyl)-3-oxo-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102280791
methyl 2-[(R)-[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 14352064
N-[(1R,2Z)-3-(4-methoxyphenyl)-2-(2-methyl-3-phenylpropyl)-1-phenylpenta-2,4-dienyl]-4-methylbenzenesulfonamide
CID 164671768
N-[(E)-1-(4-methoxyphenyl)-2-oxopent-3-enyl]-4-methylbenzenesulfonamide
CID 101492710
phenyl (2E)-2-[[(4-methylphenyl)sulfonylamino]-phenylmethyl]penta-2,4-dienoate
CID 101383030
dimethyl 2-[(E,1R)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-1-phenylprop-2-enyl]propanedioate
CID 102224653

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(4-methoxybenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-2-(4-methoxybenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide (CID 46844305) is N-[(Z)-2-(4-methoxybenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-2-(4-methoxybenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-2-(4-methoxybenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide is CC/C=C(\C(=O)c1ccc(OC)cc1)C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N-[(Z)-2-(4-methoxybenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide?
The InChIKey is MUOSAMMYPFVSBO-GYRAYZOKSA-N. The full InChI is InChI=1S/C26H27NO4S/c1-4-8-24(26(28)21-13-15-22(31-3)16-14-21)25(20-9-6-5-7-10-20)27-32(29,30)23-17-11-19(2)12-18-23/h5-18,25,27H,4H2,1-3H3/b24-8-.
What are the key properties of N-[(Z)-2-(4-methoxybenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide?
N-[(Z)-2-(4-methoxybenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide has a molecular weight of 449.57 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(4-methoxybenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 46844305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).