N-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide

C23H21NO4S — CID 15945378

IUPACN-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide
SMILESCOc1cccc(/C=C/C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1
InChIInChI=1S/C23H21NO4S/c1-17-6-13-22(14-7-17)29(26,27)24-20-11-9-19(10-12-20)23(25)15-8-18-4-3-5-21(16-18)28-2/h3-16,24H,1-2H3/b15-8+
InChIKeyDEICHIKPKMWEFD-OVCLIPMQSA-N
MW407.49 g/mol
LogP4.70
Rot. Bonds7

About N-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide

N-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 15945378) has the molecular formula C23H21NO4S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID15945378
Molecular FormulaC23H21NO4S
Molecular Weight407.49 g/mol
Exact Mass407.12
IUPAC NameN-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide
SMILESCOc1cccc(/C=C/C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1
InChIInChI=1S/C23H21NO4S/c1-17-6-13-22(14-7-17)29(26,27)24-20-11-9-19(10-12-20)23(25)15-8-18-4-3-5-21(16-18)28-2/h3-16,24H,1-2H3/b15-8+
InChIKeyDEICHIKPKMWEFD-OVCLIPMQSA-N
XLogP4.70
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide (CID 15945378) is N-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide is COc1cccc(/C=C/C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1.
What is the InChIKey of N-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is DEICHIKPKMWEFD-OVCLIPMQSA-N. The full InChI is InChI=1S/C23H21NO4S/c1-17-6-13-22(14-7-17)29(26,27)24-20-11-9-19(10-12-20)23(25)15-8-18-4-3-5-21(16-18)28-2/h3-16,24H,1-2H3/b15-8+.
What are the key properties of N-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide?
N-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 407.49 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 15945378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).