N,N-dimethyl-4-[3-(2,4,5-trimethylphenyl)prop-2-enoyl]benzenesulfonamide

C20H23NO3S — CID 74252367

IUPACN,N-dimethyl-4-[3-(2,4,5-trimethylphenyl)prop-2-enoyl]benzenesulfonamide
SMILESCc1cc(C)c(C=CC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C
InChIInChI=1S/C20H23NO3S/c1-14-12-16(3)18(13-15(14)2)8-11-20(22)17-6-9-19(10-7-17)25(23,24)21(4)5/h6-13H,1-5H3
InChIKeyZSRAMNISQQTRIW-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.76
Rot. Bonds5

About N,N-dimethyl-4-[3-(2,4,5-trimethylphenyl)prop-2-enoyl]benzenesulfonamide

N,N-dimethyl-4-[3-(2,4,5-trimethylphenyl)prop-2-enoyl]benzenesulfonamide (PubChem CID 74252367) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(2,4,5-trimethylphenyl)prop-2-enoyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(2,4,5-trimethylphenyl)prop-2-enoyl]benzenesulfonamide
PubChem CID74252367
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC NameN,N-dimethyl-4-[3-(2,4,5-trimethylphenyl)prop-2-enoyl]benzenesulfonamide
SMILESCc1cc(C)c(C=CC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C
InChIInChI=1S/C20H23NO3S/c1-14-12-16(3)18(13-15(14)2)8-11-20(22)17-6-9-19(10-7-17)25(23,24)21(4)5/h6-13H,1-5H3
InChIKeyZSRAMNISQQTRIW-UHFFFAOYSA-N
XLogP3.76
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2,5-dimethylphenyl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
CID 4015705
4-[3-(2-fluorophenyl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
CID 4041053
4-[(E)-3-[4-(dimethylsulfamoyl)phenyl]-3-oxoprop-1-enyl]benzoic acid
CID 6393649
4-[(E)-3-[4-(difluoromethoxy)-3,5-dimethylphenyl]prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
CID 9447533
4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
CID 9447517
4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
CID 9447525
methyl 4-[[2-[3-[4-(dimethylsulfamoyl)phenyl]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 3951980
4-[3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
CID 4874909
4-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
CID 4812918
4-[(E)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
CID 6214366
(E)-1-(2-methylphenyl)-3-(2,4,5-trimethylphenyl)prop-2-en-1-one
CID 18292568
2-[[4-[(E)-3-(4-methoxy-3-methylphenyl)prop-2-enoyl]phenyl]sulfonyl-methylamino]acetic acid
CID 24650417

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(2,4,5-trimethylphenyl)prop-2-enoyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[3-(2,4,5-trimethylphenyl)prop-2-enoyl]benzenesulfonamide (CID 74252367) is N,N-dimethyl-4-[3-(2,4,5-trimethylphenyl)prop-2-enoyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[3-(2,4,5-trimethylphenyl)prop-2-enoyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[3-(2,4,5-trimethylphenyl)prop-2-enoyl]benzenesulfonamide is Cc1cc(C)c(C=CC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C.
What is the InChIKey of N,N-dimethyl-4-[3-(2,4,5-trimethylphenyl)prop-2-enoyl]benzenesulfonamide?
The InChIKey is ZSRAMNISQQTRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-14-12-16(3)18(13-15(14)2)8-11-20(22)17-6-9-19(10-7-17)25(23,24)21(4)5/h6-13H,1-5H3.
What are the key properties of N,N-dimethyl-4-[3-(2,4,5-trimethylphenyl)prop-2-enoyl]benzenesulfonamide?
N,N-dimethyl-4-[3-(2,4,5-trimethylphenyl)prop-2-enoyl]benzenesulfonamide has a molecular weight of 357.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(2,4,5-trimethylphenyl)prop-2-enoyl]benzenesulfonamide is sourced from PubChem (CID 74252367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).