N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)sulfonylprop-2-enamide

C17H20N2O3S2 — CID 76885915

IUPACN-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)sulfonylprop-2-enamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)C(=O)C=Cc2csc(C)n2)c(C)c1
InChIInChI=1S/C17H20N2O3S2/c1-11-8-12(2)17(13(3)9-11)24(21,22)19(5)16(20)7-6-15-10-23-14(4)18-15/h6-10H,1-5H3
InChIKeyYKVVWESRLHOQNJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.24
Rot. Bonds4

About N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)sulfonylprop-2-enamide

N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)sulfonylprop-2-enamide (PubChem CID 76885915) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)sulfonylprop-2-enamide.

Molecular Properties

Compound NameN-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)sulfonylprop-2-enamide
PubChem CID76885915
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)sulfonylprop-2-enamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)C(=O)C=Cc2csc(C)n2)c(C)c1
InChIInChI=1S/C17H20N2O3S2/c1-11-8-12(2)17(13(3)9-11)24(21,22)19(5)16(20)7-6-15-10-23-14(4)18-15/h6-10H,1-5H3
InChIKeyYKVVWESRLHOQNJ-UHFFFAOYSA-N
XLogP3.24
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)sulfonylprop-2-enamide?
The IUPAC name of N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)sulfonylprop-2-enamide (CID 76885915) is N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)sulfonylprop-2-enamide.
What is the SMILES notation for N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)sulfonylprop-2-enamide?
The canonical SMILES for N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)sulfonylprop-2-enamide is Cc1cc(C)c(S(=O)(=O)N(C)C(=O)C=Cc2csc(C)n2)c(C)c1.
What is the InChIKey of N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)sulfonylprop-2-enamide?
The InChIKey is YKVVWESRLHOQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-11-8-12(2)17(13(3)9-11)24(21,22)19(5)16(20)7-6-15-10-23-14(4)18-15/h6-10H,1-5H3.
What are the key properties of N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)sulfonylprop-2-enamide?
N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)sulfonylprop-2-enamide has a molecular weight of 364.49 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)sulfonylprop-2-enamide is sourced from PubChem (CID 76885915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).