4-(2-amino-2-oxoethoxy)-N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide

C20H17Cl2N3O4S — CID 38270716

IUPAC4-(2-amino-2-oxoethoxy)-N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide
SMILESCOc1cc(C(=O)/N=c2\sccn2Cc2ccc(Cl)cc2Cl)ccc1OCC(N)=O
InChIInChI=1S/C20H17Cl2N3O4S/c1-28-17-8-12(3-5-16(17)29-11-18(23)26)19(27)24-20-25(6-7-30-20)10-13-2-4-14(21)9-15(13)22/h2-9H,10-11H2,1H3,(H2,23,26)/b24-20-
InChIKeyJRCIPKDQQBZJMN-GFMRDNFCSA-N
MW466.35 g/mol
LogP3.52
Rot. Bonds7

About 4-(2-amino-2-oxoethoxy)-N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide (PubChem CID 38270716) has the molecular formula C20H17Cl2N3O4S and a molecular weight of 466.35 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide
PubChem CID38270716
Molecular FormulaC20H17Cl2N3O4S
Molecular Weight466.35 g/mol
Exact Mass465.03
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide
SMILESCOc1cc(C(=O)/N=c2\sccn2Cc2ccc(Cl)cc2Cl)ccc1OCC(N)=O
InChIInChI=1S/C20H17Cl2N3O4S/c1-28-17-8-12(3-5-16(17)29-11-18(23)26)19(27)24-20-25(6-7-30-20)10-13-2-4-14(21)9-15(13)22/h2-9H,10-11H2,1H3,(H2,23,26)/b24-20-
InChIKeyJRCIPKDQQBZJMN-GFMRDNFCSA-N
XLogP3.52
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-amino-2-oxoethoxy)-N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide with MolForge

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Related Compounds

N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methylpyridine-3-carboxamide
CID 18225540
N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(dimethylsulfamoyl)benzamide
CID 2077694
4-(2-amino-2-oxoethoxy)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-methoxybenzamide
CID 95690732
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
3,4-dimethoxy-N-[3-[[3-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 51067339
methyl 2-[4,6-dichloro-2-(3,4-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 41204726
2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methoxyphenoxy]acetamide
CID 30455552
4-(2-amino-2-oxoethoxy)-N-(3-chlorophenyl)-3-methoxybenzamide
CID 9072187
1-[(2,4-dichlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157404
4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide
CID 55414528
3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 38162531
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-dimethoxybenzoate
CID 19293781

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide (CID 38270716) is 4-(2-amino-2-oxoethoxy)-N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide is COc1cc(C(=O)/N=c2\sccn2Cc2ccc(Cl)cc2Cl)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide?
The InChIKey is JRCIPKDQQBZJMN-GFMRDNFCSA-N. The full InChI is InChI=1S/C20H17Cl2N3O4S/c1-28-17-8-12(3-5-16(17)29-11-18(23)26)19(27)24-20-25(6-7-30-20)10-13-2-4-14(21)9-15(13)22/h2-9H,10-11H2,1H3,(H2,23,26)/b24-20-.
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide has a molecular weight of 466.35 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide is sourced from PubChem (CID 38270716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).