N-[2-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide

C21H23F2N3O6S — CID 43066194

IUPACN-[2-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1cc(/C=C2\SC(=O)N(CCNC(=O)CNC(=O)C3CC3C)C2=O)ccc1OC(F)F
InChIInChI=1S/C21H23F2N3O6S/c1-11-7-13(11)18(28)25-10-17(27)24-5-6-26-19(29)16(33-21(26)30)9-12-3-4-14(32-20(22)23)15(8-12)31-2/h3-4,8-9,11,13,20H,5-7,10H2,1-2H3,(H,24,27)(H,25,28)/b16-9-
InChIKeyKCDFGZVVJABGFI-SXGWCWSVSA-N
MW483.49 g/mol
LogP2.22
Rot. Bonds10

About N-[2-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide

N-[2-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 43066194) has the molecular formula C21H23F2N3O6S and a molecular weight of 483.49 g/mol. Its IUPAC name is N-[2-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID43066194
Molecular FormulaC21H23F2N3O6S
Molecular Weight483.49 g/mol
Exact Mass483.13
IUPAC NameN-[2-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1cc(/C=C2\SC(=O)N(CCNC(=O)CNC(=O)C3CC3C)C2=O)ccc1OC(F)F
InChIInChI=1S/C21H23F2N3O6S/c1-11-7-13(11)18(28)25-10-17(27)24-5-6-26-19(29)16(33-21(26)30)9-12-3-4-14(32-20(22)23)15(8-12)31-2/h3-4,8-9,11,13,20H,5-7,10H2,1-2H3,(H,24,27)(H,25,28)/b16-9-
InChIKeyKCDFGZVVJABGFI-SXGWCWSVSA-N
XLogP2.22
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-methylpentanamide
CID 24641018
N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(2-methylpropoxy)propanamide
CID 39391365
N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55415393
4-cyano-N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 26354971
N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-methoxypyridine-3-carboxamide
CID 24547127
N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(methoxymethyl)benzamide
CID 24547122
N-[2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-pyrrolidin-1-ium-1-ylacetamide
CID 8901522
N-[2-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-methoxyphenyl)acetamide
CID 6180361
N-(2-bromophenyl)-2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126362292
2-[5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-hydroxyethyl)acetamide
CID 2894109
2-cyclopentyl-N-[2-[(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 6214440
N-[2-[5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(2-methoxyphenoxy)propanamide
CID 4833293

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide (CID 43066194) is N-[2-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide is COc1cc(/C=C2\SC(=O)N(CCNC(=O)CNC(=O)C3CC3C)C2=O)ccc1OC(F)F.
What is the InChIKey of N-[2-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is KCDFGZVVJABGFI-SXGWCWSVSA-N. The full InChI is InChI=1S/C21H23F2N3O6S/c1-11-7-13(11)18(28)25-10-17(27)24-5-6-26-19(29)16(33-21(26)30)9-12-3-4-14(32-20(22)23)15(8-12)31-2/h3-4,8-9,11,13,20H,5-7,10H2,1-2H3,(H,24,27)(H,25,28)/b16-9-.
What are the key properties of N-[2-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
N-[2-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 483.49 g/mol, XLogP of 2.22, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 43066194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).