2-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

C21H20N2O3S2 — CID 102135033

IUPAC2-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(/C=C\S(=O)(=O)CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1
InChIInChI=1S/C21H20N2O3S2/c1-15-3-7-17(8-4-15)11-12-28(25,26)14-20(24)23-21-22-19(13-27-21)18-9-5-16(2)6-10-18/h3-13H,14H2,1-2H3,(H,22,23,24)/b12-11-
InChIKeyRHUVJJHFHVEKTC-QXMHVHEDSA-N
MW412.54 g/mol
LogP4.45
Rot. Bonds6

About 2-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

2-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 102135033) has the molecular formula C21H20N2O3S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID102135033
Molecular FormulaC21H20N2O3S2
Molecular Weight412.54 g/mol
Exact Mass412.09
IUPAC Name2-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(/C=C\S(=O)(=O)CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1
InChIInChI=1S/C21H20N2O3S2/c1-15-3-7-17(8-4-15)11-12-28(25,26)14-20(24)23-21-22-19(13-27-21)18-9-5-16(2)6-10-18/h3-13H,14H2,1-2H3,(H,22,23,24)/b12-11-
InChIKeyRHUVJJHFHVEKTC-QXMHVHEDSA-N
XLogP4.45
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate
CID 4847149
2-(2-hydrazinyl-2-oxoethyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 139232676
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 2545965
2-(4-chlorophenyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7543926
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 4259251
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 7860662
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
3-(4-methoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 2790166
2-(4-methylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 43951124
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 24568469
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
tert-butyl N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139371491

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 102135033) is 2-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(/C=C\S(=O)(=O)CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1.
What is the InChIKey of 2-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RHUVJJHFHVEKTC-QXMHVHEDSA-N. The full InChI is InChI=1S/C21H20N2O3S2/c1-15-3-7-17(8-4-15)11-12-28(25,26)14-20(24)23-21-22-19(13-27-21)18-9-5-16(2)6-10-18/h3-13H,14H2,1-2H3,(H,22,23,24)/b12-11-.
What are the key properties of 2-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 412.54 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 102135033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).