3,4-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]sulfonylbenzamide

C19H21N3O4S — CID 15708418

IUPAC3,4-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]sulfonylbenzamide
SMILESC=CCNC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H21N3O4S/c1-4-11-20-19(24)21-16-7-9-17(10-8-16)27(25,26)22-18(23)15-6-5-13(2)14(3)12-15/h4-10,12H,1,11H2,2-3H3,(H,22,23)(H2,20,21,24)
InChIKeyFRFUJCQXZASVAC-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.73
Rot. Bonds6

About 3,4-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]sulfonylbenzamide

3,4-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]sulfonylbenzamide (PubChem CID 15708418) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]sulfonylbenzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]sulfonylbenzamide
PubChem CID15708418
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name3,4-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]sulfonylbenzamide
SMILESC=CCNC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H21N3O4S/c1-4-11-20-19(24)21-16-7-9-17(10-8-16)27(25,26)22-18(23)15-6-5-13(2)14(3)12-15/h4-10,12H,1,11H2,2-3H3,(H,22,23)(H2,20,21,24)
InChIKeyFRFUJCQXZASVAC-UHFFFAOYSA-N
XLogP2.73
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide
CID 19023194
3,4-dimethyl-N-[2-oxo-2-[4-(propan-2-ylsulfamoyl)anilino]ethyl]benzamide
CID 9219410
N-[4-(prop-2-enylcarbamothioylsulfamoyl)phenyl]acetamide
CID 121011371
2-(3,4-dimethylphenyl)-2-oxo-N-prop-2-enylacetamide
CID 82113874
3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
CID 18161684
3-(diethylsulfamoyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide
CID 55540186
ethyl 4-(prop-2-enylcarbamoylamino)benzoate
CID 47146341
N-prop-2-enyl-4-(propylcarbamoylamino)benzamide
CID 47265151
4-(methanesulfonamido)-3-methyl-N-prop-2-enylbenzamide
CID 41468209
4-methyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide
CID 22441702
4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9416108
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]sulfonylbenzamide?
The IUPAC name of 3,4-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]sulfonylbenzamide (CID 15708418) is 3,4-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]sulfonylbenzamide.
What is the SMILES notation for 3,4-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]sulfonylbenzamide?
The canonical SMILES for 3,4-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]sulfonylbenzamide is C=CCNC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 3,4-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]sulfonylbenzamide?
The InChIKey is FRFUJCQXZASVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-4-11-20-19(24)21-16-7-9-17(10-8-16)27(25,26)22-18(23)15-6-5-13(2)14(3)12-15/h4-10,12H,1,11H2,2-3H3,(H,22,23)(H2,20,21,24).
What are the key properties of 3,4-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]sulfonylbenzamide?
3,4-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]sulfonylbenzamide has a molecular weight of 387.46 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]sulfonylbenzamide is sourced from PubChem (CID 15708418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).