N-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide

C24H21N3O4S — CID 39868500

IUPACN-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)COc3ccccc3C)sc2NC(=O)c2ccco2)cc1
InChIInChI=1S/C24H21N3O4S/c1-15-9-11-17(12-10-15)21-23(27-22(29)19-8-5-13-30-19)32-24(26-21)25-20(28)14-31-18-7-4-3-6-16(18)2/h3-13H,14H2,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyVHNQYLRINGRGTA-UHFFFAOYSA-N
MW447.52 g/mol
LogP5.29
Rot. Bonds7

About N-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide

N-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide (PubChem CID 39868500) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
PubChem CID39868500
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC NameN-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)COc3ccccc3C)sc2NC(=O)c2ccco2)cc1
InChIInChI=1S/C24H21N3O4S/c1-15-9-11-17(12-10-15)21-23(27-22(29)19-8-5-13-30-19)32-24(26-21)25-20(28)14-31-18-7-4-3-6-16(18)2/h3-13H,14H2,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyVHNQYLRINGRGTA-UHFFFAOYSA-N
XLogP5.29
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.52
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868480
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868476
N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868533
N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 46299919
N-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 154810998
2-(2-methoxyphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19172973
N-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide
CID 163347610
N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 46299924
N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylphenoxy)acetamide
CID 46299927
N-[2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 44615171
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 954460
N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 46300029

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide (CID 39868500) is N-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide is Cc1ccc(-c2nc(NC(=O)COc3ccccc3C)sc2NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide?
The InChIKey is VHNQYLRINGRGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-15-9-11-17(12-10-15)21-23(27-22(29)19-8-5-13-30-19)32-24(26-21)25-20(28)14-31-18-7-4-3-6-16(18)2/h3-13H,14H2,1-2H3,(H,27,29)(H,25,26,28).
What are the key properties of N-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide?
N-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 39868500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).