N-[3-[(Z)-[(2E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]-4-methoxybenzamide

C24H24N2O4S — CID 98687732

IUPACN-[3-[(Z)-[(2E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(/C=c3\s/c(=C/C(=O)C(C)(C)C)[nH]c3=O)c2)cc1
InChIInChI=1S/C24H24N2O4S/c1-24(2,3)20(27)14-21-26-23(29)19(31-21)13-15-6-5-7-17(12-15)25-22(28)16-8-10-18(30-4)11-9-16/h5-14H,1-4H3,(H,25,28)(H,26,29)/b19-13-,21-14+
InChIKeyCQUYOPHLRMFBTR-GRDMYJHDSA-N
MW436.53 g/mol
LogP2.92
Rot. Bonds5

About N-[3-[(Z)-[(2E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]-4-methoxybenzamide

N-[3-[(Z)-[(2E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]-4-methoxybenzamide (PubChem CID 98687732) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[3-[(Z)-[(2E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[(Z)-[(2E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]-4-methoxybenzamide
PubChem CID98687732
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-[3-[(Z)-[(2E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(/C=c3\s/c(=C/C(=O)C(C)(C)C)[nH]c3=O)c2)cc1
InChIInChI=1S/C24H24N2O4S/c1-24(2,3)20(27)14-21-26-23(29)19(31-21)13-15-6-5-7-17(12-15)25-22(28)16-8-10-18(30-4)11-9-16/h5-14H,1-4H3,(H,25,28)(H,26,29)/b19-13-,21-14+
InChIKeyCQUYOPHLRMFBTR-GRDMYJHDSA-N
XLogP2.92
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 74766269
2-[3-[(E)-[(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 154860635
(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8830998
4-[(Z)-[(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 98392894
2-(3,3-dimethyl-2-oxobutylidene)-5-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 4786093
5-[(2,6-dichlorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4851772
5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4793378
(2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 7973041
(2Z,5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one
CID 2700331
5-benzylidene-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2818920
(2Z)-2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
CID 75458974
2-[2-[3-[(4-methoxybenzoyl)amino]phenyl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 76879171

Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-[(2E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-[(Z)-[(2E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]-4-methoxybenzamide (CID 98687732) is N-[3-[(Z)-[(2E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[(Z)-[(2E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[(Z)-[(2E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(/C=c3\s/c(=C/C(=O)C(C)(C)C)[nH]c3=O)c2)cc1.
What is the InChIKey of N-[3-[(Z)-[(2E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]-4-methoxybenzamide?
The InChIKey is CQUYOPHLRMFBTR-GRDMYJHDSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-24(2,3)20(27)14-21-26-23(29)19(31-21)13-15-6-5-7-17(12-15)25-22(28)16-8-10-18(30-4)11-9-16/h5-14H,1-4H3,(H,25,28)(H,26,29)/b19-13-,21-14+.
What are the key properties of N-[3-[(Z)-[(2E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]-4-methoxybenzamide?
N-[3-[(Z)-[(2E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]-4-methoxybenzamide has a molecular weight of 436.53 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-[(2E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 98687732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).