2-chloro-N,N-diethyl-4-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide

C20H20ClN3O3S — CID 55673130

IUPAC2-chloro-N,N-diethyl-4-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)Cc2csc(-c3ccco3)n2)cc1Cl
InChIInChI=1S/C20H20ClN3O3S/c1-3-24(4-2)20(26)15-8-7-13(10-16(15)21)22-18(25)11-14-12-28-19(23-14)17-6-5-9-27-17/h5-10,12H,3-4,11H2,1-2H3,(H,22,25)
InChIKeyCAHGZNODGSEGRS-UHFFFAOYSA-N
MW417.92 g/mol
LogP4.72
Rot. Bonds7

About 2-chloro-N,N-diethyl-4-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide

2-chloro-N,N-diethyl-4-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide (PubChem CID 55673130) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-4-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-4-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
PubChem CID55673130
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name2-chloro-N,N-diethyl-4-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)Cc2csc(-c3ccco3)n2)cc1Cl
InChIInChI=1S/C20H20ClN3O3S/c1-3-24(4-2)20(26)15-8-7-13(10-16(15)21)22-18(25)11-14-12-28-19(23-14)17-6-5-9-27-17/h5-10,12H,3-4,11H2,1-2H3,(H,22,25)
InChIKeyCAHGZNODGSEGRS-UHFFFAOYSA-N
XLogP4.72
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31669164
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55726196
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24665733
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 46570125
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24664236
2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 39170378
3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 61007308
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 46559443
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 131937813
4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide
CID 119712519
N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 31826746

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-4-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The IUPAC name of 2-chloro-N,N-diethyl-4-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide (CID 55673130) is 2-chloro-N,N-diethyl-4-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-4-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The canonical SMILES for 2-chloro-N,N-diethyl-4-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)Cc2csc(-c3ccco3)n2)cc1Cl.
What is the InChIKey of 2-chloro-N,N-diethyl-4-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The InChIKey is CAHGZNODGSEGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-3-24(4-2)20(26)15-8-7-13(10-16(15)21)22-18(25)11-14-12-28-19(23-14)17-6-5-9-27-17/h5-10,12H,3-4,11H2,1-2H3,(H,22,25).
What are the key properties of 2-chloro-N,N-diethyl-4-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide?
2-chloro-N,N-diethyl-4-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide has a molecular weight of 417.92 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-4-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide is sourced from PubChem (CID 55673130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).