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

C19H21NO4S — CID 8828117

IUPAC4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccccc2OC)cc1
InChIInChI=1S/C19H21NO4S/c1-3-14-20-25(22,23)17-11-8-15(9-12-17)18(21)13-10-16-6-4-5-7-19(16)24-2/h4-13,20H,3,14H2,1-2H3/b13-10+
InChIKeyKSGAZMBWOWLLMB-JLHYYAGUSA-N
MW359.45 g/mol
LogP3.28
Rot. Bonds8

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

4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide (PubChem CID 8828117) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide
PubChem CID8828117
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccccc2OC)cc1
InChIInChI=1S/C19H21NO4S/c1-3-14-20-25(22,23)17-11-8-15(9-12-17)18(21)13-10-16-6-4-5-7-19(16)24-2/h4-13,20H,3,14H2,1-2H3/b13-10+
InChIKeyKSGAZMBWOWLLMB-JLHYYAGUSA-N
XLogP3.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.28
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

4-[(E)-3-(2-methylphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide
CID 25466152
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
N-[4-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 4143798
(E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 6262995
3-(2-methoxy-5-methylsulfonylphenyl)-1-phenylprop-2-en-1-one
CID 54356724
3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 78787127
N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoyl]benzenesulfonamide
CID 123832294
[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate
CID 102475466
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
(E)-3-(2-chlorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide
CID 6233954

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide?
The IUPAC name of 4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide (CID 8828117) is 4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide?
The canonical SMILES for 4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccccc2OC)cc1.
What is the InChIKey of 4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide?
The InChIKey is KSGAZMBWOWLLMB-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-3-14-20-25(22,23)17-11-8-15(9-12-17)18(21)13-10-16-6-4-5-7-19(16)24-2/h4-13,20H,3,14H2,1-2H3/b13-10+.
What are the key properties of 4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide?
4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide is sourced from PubChem (CID 8828117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).