N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)-3-nitrophenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

C20H18N4O5S — CID 4849271

IUPACN-(2-methoxyphenyl)-2-[5-[[4-(methylamino)-3-nitrophenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCNc1ccc(C=c2sc(=CC(=O)Nc3ccccc3OC)[nH]c2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C20H18N4O5S/c1-21-13-8-7-12(9-15(13)24(27)28)10-17-20(26)23-19(30-17)11-18(25)22-14-5-3-4-6-16(14)29-2/h3-11,21H,1-2H3,(H,22,25)(H,23,26)
InChIKeyRIPLHQKGRRJNFB-UHFFFAOYSA-N
MW426.45 g/mol
LogP1.64
Rot. Bonds6

About N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)-3-nitrophenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)-3-nitrophenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 4849271) has the molecular formula C20H18N4O5S and a molecular weight of 426.45 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)-3-nitrophenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[5-[[4-(methylamino)-3-nitrophenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID4849271
Molecular FormulaC20H18N4O5S
Molecular Weight426.45 g/mol
Exact Mass426.10
IUPAC NameN-(2-methoxyphenyl)-2-[5-[[4-(methylamino)-3-nitrophenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCNc1ccc(C=c2sc(=CC(=O)Nc3ccccc3OC)[nH]c2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C20H18N4O5S/c1-21-13-8-7-12(9-15(13)24(27)28)10-17-20(26)23-19(30-17)11-18(25)22-14-5-3-4-6-16(14)29-2/h3-11,21H,1-2H3,(H,22,25)(H,23,26)
InChIKeyRIPLHQKGRRJNFB-UHFFFAOYSA-N
XLogP1.64
TPSA126.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 4804076
(2Z)-2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 98677854
(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(4-methyl-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 9447798
(2Z,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8832092
(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 8829864
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 21157240
(2Z)-2-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 8827923
(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8830799
(2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 6212697
(2Z)-2-[(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 8827979
(2Z,5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(2-oxo-2-pyridin-4-ylethylidene)-1,3-thiazolidin-4-one
CID 37172603
1-(4-fluoro-2-nitrophenyl)-3-(2-methoxyphenyl)thiourea
CID 19687362

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)-3-nitrophenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)-3-nitrophenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CID 4849271) is N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)-3-nitrophenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)-3-nitrophenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)-3-nitrophenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is CNc1ccc(C=c2sc(=CC(=O)Nc3ccccc3OC)[nH]c2=O)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)-3-nitrophenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is RIPLHQKGRRJNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5S/c1-21-13-8-7-12(9-15(13)24(27)28)10-17-20(26)23-19(30-17)11-18(25)22-14-5-3-4-6-16(14)29-2/h3-11,21H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)-3-nitrophenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)-3-nitrophenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 426.45 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)-3-nitrophenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 4849271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).