N-[1-benzofuran-2-yl(phenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C24H18N2O2S2 — CID 24556812

IUPACN-[1-benzofuran-2-yl(phenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccs2)n1)NC(c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C24H18N2O2S2/c27-22(14-18-15-30-24(25-18)21-11-6-12-29-21)26-23(16-7-2-1-3-8-16)20-13-17-9-4-5-10-19(17)28-20/h1-13,15,23H,14H2,(H,26,27)
InChIKeyMTAUSPITEYNFEF-UHFFFAOYSA-N
MW430.55 g/mol
LogP6.07
Rot. Bonds6

About N-[1-benzofuran-2-yl(phenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-[1-benzofuran-2-yl(phenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 24556812) has the molecular formula C24H18N2O2S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl(phenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl(phenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID24556812
Molecular FormulaC24H18N2O2S2
Molecular Weight430.55 g/mol
Exact Mass430.08
IUPAC NameN-[1-benzofuran-2-yl(phenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccs2)n1)NC(c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C24H18N2O2S2/c27-22(14-18-15-30-24(25-18)21-11-6-12-29-21)26-23(16-7-2-1-3-8-16)20-13-17-9-4-5-10-19(17)28-20/h1-13,15,23H,14H2,(H,26,27)
InChIKeyMTAUSPITEYNFEF-UHFFFAOYSA-N
XLogP6.07
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 43170823
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(2-fluorophenyl)acetamide
CID 51727752
N-(4-hydroxybutan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 81048947
N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18197973
N-dibenzofuran-2-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18226286
N-(1-hydroxybutan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 43418004
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 134052797
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-thiophen-3-ylpropanamide
CID 51644623
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 46647780
N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 75414487
(2S)-4-methyl-2-[[2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]acetyl]amino]pentanoic acid
CID 120694889

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl(phenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[1-benzofuran-2-yl(phenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 24556812) is N-[1-benzofuran-2-yl(phenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[1-benzofuran-2-yl(phenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[1-benzofuran-2-yl(phenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2cccs2)n1)NC(c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-benzofuran-2-yl(phenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is MTAUSPITEYNFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2S2/c27-22(14-18-15-30-24(25-18)21-11-6-12-29-21)26-23(16-7-2-1-3-8-16)20-13-17-9-4-5-10-19(17)28-20/h1-13,15,23H,14H2,(H,26,27).
What are the key properties of N-[1-benzofuran-2-yl(phenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-[1-benzofuran-2-yl(phenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 430.55 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl(phenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 24556812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).