N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbut-2-enamide

C19H22N2O3S — CID 42998725

IUPACN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H22N2O3S/c1-13(2)11-19(22)20-16-7-9-18(10-8-16)25(23,24)21-17-6-5-14(3)15(4)12-17/h5-12,21H,1-4H3,(H,20,22)
InChIKeyINYSGJFATLXNGR-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.01
Rot. Bonds5

About N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbut-2-enamide

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbut-2-enamide (PubChem CID 42998725) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbut-2-enamide
PubChem CID42998725
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H22N2O3S/c1-13(2)11-19(22)20-16-7-9-18(10-8-16)25(23,24)21-17-6-5-14(3)15(4)12-17/h5-12,21H,1-4H3,(H,20,22)
InChIKeyINYSGJFATLXNGR-UHFFFAOYSA-N
XLogP4.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6128596
3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide
CID 26715230
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide
CID 54790569
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26657138
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918
4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
CID 46555814
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3982456
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1310856
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227042
N-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide
CID 47232028
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbut-2-enamide
CID 30877349
2-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-5-(methanesulfonamido)benzamide
CID 99959560

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbut-2-enamide?
The IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbut-2-enamide (CID 42998725) is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbut-2-enamide is CC(C)=CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbut-2-enamide?
The InChIKey is INYSGJFATLXNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13(2)11-19(22)20-16-7-9-18(10-8-16)25(23,24)21-17-6-5-14(3)15(4)12-17/h5-12,21H,1-4H3,(H,20,22).
What are the key properties of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbut-2-enamide?
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbut-2-enamide has a molecular weight of 358.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbut-2-enamide is sourced from PubChem (CID 42998725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).