N-[(1-methylpyrazol-3-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide

C15H18N4O3S — CID 171138540

IUPACN-[(1-methylpyrazol-3-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
SMILESCNS(=O)(=O)c1ccc(C=CC(=O)NCc2ccn(C)n2)cc1
InChIInChI=1S/C15H18N4O3S/c1-16-23(21,22)14-6-3-12(4-7-14)5-8-15(20)17-11-13-9-10-19(2)18-13/h3-10,16H,11H2,1-2H3,(H,17,20)
InChIKeyDRVHMINVIBIMCL-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.66
Rot. Bonds6

About N-[(1-methylpyrazol-3-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide

N-[(1-methylpyrazol-3-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 171138540) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
PubChem CID171138540
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
SMILESCNS(=O)(=O)c1ccc(C=CC(=O)NCc2ccn(C)n2)cc1
InChIInChI=1S/C15H18N4O3S/c1-16-23(21,22)14-6-3-12(4-7-14)5-8-15(20)17-11-13-9-10-19(2)18-13/h3-10,16H,11H2,1-2H3,(H,17,20)
InChIKeyDRVHMINVIBIMCL-UHFFFAOYSA-N
XLogP0.66
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(4-chlorophenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 25296226
(E)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 55621168
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 41287870
(E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-2-enamide
CID 19329205
(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide
CID 51280623
(E)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 56524142
(E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide
CID 30308521
(E)-3-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-2-enamide
CID 19329215
(E)-N-[2-(3-chlorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 34406222
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide
CID 55964932
4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882484
3-fluoro-4-methyl-N-[2-[[(E)-3-[4-(methylsulfamoyl)phenyl]prop-2-enoyl]amino]ethyl]benzamide
CID 33329912

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide (CID 171138540) is N-[(1-methylpyrazol-3-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide is CNS(=O)(=O)c1ccc(C=CC(=O)NCc2ccn(C)n2)cc1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is DRVHMINVIBIMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-16-23(21,22)14-6-3-12(4-7-14)5-8-15(20)17-11-13-9-10-19(2)18-13/h3-10,16H,11H2,1-2H3,(H,17,20).
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide?
N-[(1-methylpyrazol-3-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 334.40 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 171138540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).