N-(3-formylphenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide

C24H23NO4S — CID 169040650

IUPACN-(3-formylphenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1/C=C/CN(c1cccc(C=O)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H23NO4S/c1-19-12-14-23(15-13-19)30(27,28)25(22-10-5-7-20(17-22)18-26)16-6-9-21-8-3-4-11-24(21)29-2/h3-15,17-18H,16H2,1-2H3/b9-6+
InChIKeyDRHMFCGXXHQFDT-RMKNXTFCSA-N
MW421.52 g/mol
LogP4.72
Rot. Bonds8

About N-(3-formylphenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide

N-(3-formylphenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide (PubChem CID 169040650) has the molecular formula C24H23NO4S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-(3-formylphenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-formylphenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide
PubChem CID169040650
Molecular FormulaC24H23NO4S
Molecular Weight421.52 g/mol
Exact Mass421.13
IUPAC NameN-(3-formylphenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1/C=C/CN(c1cccc(C=O)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H23NO4S/c1-19-12-14-23(15-13-19)30(27,28)25(22-10-5-7-20(17-22)18-26)16-6-9-21-8-3-4-11-24(21)29-2/h3-15,17-18H,16H2,1-2H3/b9-6+
InChIKeyDRHMFCGXXHQFDT-RMKNXTFCSA-N
XLogP4.72
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-formyl-4-(trifluoromethyl)phenyl]-4-methyl-N-(3-phenylprop-2-enyl)benzenesulfonamide
CID 169040724
N-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46022009
4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide
CID 101398637
N-(2-methoxyphenyl)-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126033775
N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 46022202
2-[[(E)-3-(3-methylphenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium
CID 154710071
N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 9122697
N-[(2,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 46021806
N-[(3,5-dimethoxyphenyl)methyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 46021875
4-methyl-N-[2-(2-phenylethynyl)phenyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 177481573
N,N-diethyl-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2274312
N-(2-formylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 139086666

Frequently Asked Questions

What is the IUPAC name of N-(3-formylphenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-formylphenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide (CID 169040650) is N-(3-formylphenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-formylphenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-formylphenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide is COc1ccccc1/C=C/CN(c1cccc(C=O)c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-formylphenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide?
The InChIKey is DRHMFCGXXHQFDT-RMKNXTFCSA-N. The full InChI is InChI=1S/C24H23NO4S/c1-19-12-14-23(15-13-19)30(27,28)25(22-10-5-7-20(17-22)18-26)16-6-9-21-8-3-4-11-24(21)29-2/h3-15,17-18H,16H2,1-2H3/b9-6+.
What are the key properties of N-(3-formylphenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide?
N-(3-formylphenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide has a molecular weight of 421.52 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formylphenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169040650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).