4-[(E)-3-(2-methylphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide

C19H21NO3S — CID 25466152

IUPAC4-[(E)-3-(2-methylphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccccc2C)cc1
InChIInChI=1S/C19H21NO3S/c1-3-14-20-24(22,23)18-11-8-17(9-12-18)19(21)13-10-16-7-5-4-6-15(16)2/h4-13,20H,3,14H2,1-2H3/b13-10+
InChIKeyZNOTXMHEXHZHTG-JLHYYAGUSA-N
MW343.45 g/mol
LogP3.58
Rot. Bonds7

About 4-[(E)-3-(2-methylphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide

4-[(E)-3-(2-methylphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide (PubChem CID 25466152) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-[(E)-3-(2-methylphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(E)-3-(2-methylphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide
PubChem CID25466152
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name4-[(E)-3-(2-methylphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccccc2C)cc1
InChIInChI=1S/C19H21NO3S/c1-3-14-20-24(22,23)18-11-8-17(9-12-18)19(21)13-10-16-7-5-4-6-15(16)2/h4-13,20H,3,14H2,1-2H3/b13-10+
InChIKeyZNOTXMHEXHZHTG-JLHYYAGUSA-N
XLogP3.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide
CID 8828117
(E)-3-(2-methylphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564974
(E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 6244990
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
(E)-3-(2-chlorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide
CID 6233954
(E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557241
N-[4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide
CID 68660292
2-[[4-[(E)-3-(2-nitrophenyl)prop-2-enoyl]phenyl]sulfonylamino]acetic acid
CID 45474474
N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide
CID 109058037
N-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide
CID 109058046
1-[4-[3-(dimethylamino)propyl]phenyl]-3-(2-methylphenyl)prop-2-en-1-one
CID 54292317
N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061918

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(2-methylphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide?
The IUPAC name of 4-[(E)-3-(2-methylphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide (CID 25466152) is 4-[(E)-3-(2-methylphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-[(E)-3-(2-methylphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide?
The canonical SMILES for 4-[(E)-3-(2-methylphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccccc2C)cc1.
What is the InChIKey of 4-[(E)-3-(2-methylphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide?
The InChIKey is ZNOTXMHEXHZHTG-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-3-14-20-24(22,23)18-11-8-17(9-12-18)19(21)13-10-16-7-5-4-6-15(16)2/h4-13,20H,3,14H2,1-2H3/b13-10+.
What are the key properties of 4-[(E)-3-(2-methylphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide?
4-[(E)-3-(2-methylphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(2-methylphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide is sourced from PubChem (CID 25466152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).