N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C23H22N2O3S — CID 18282452

IUPACN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCOc1cccc2cc(C(C)NC(=O)c3sc(-c4ccccc4)nc3C)oc12
InChIInChI=1S/C23H22N2O3S/c1-4-27-18-12-8-11-17-13-19(28-20(17)18)14(2)24-22(26)21-15(3)25-23(29-21)16-9-6-5-7-10-16/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyPSFIIAWARPXTTH-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.75
Rot. Bonds6

About N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 18282452) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID18282452
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCOc1cccc2cc(C(C)NC(=O)c3sc(-c4ccccc4)nc3C)oc12
InChIInChI=1S/C23H22N2O3S/c1-4-27-18-12-8-11-17-13-19(28-20(17)18)14(2)24-22(26)21-15(3)25-23(29-21)16-9-6-5-7-10-16/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyPSFIIAWARPXTTH-UHFFFAOYSA-N
XLogP5.75
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
1-benzyl-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]triazole-4-carboxamide
CID 134036989
ethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate
CID 55633376
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 97237661
8-ethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-oxochromene-3-carboxamide
CID 90546317
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 55428779
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273318
N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 39968255
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134056578
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 18282452) is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is CCOc1cccc2cc(C(C)NC(=O)c3sc(-c4ccccc4)nc3C)oc12.
What is the InChIKey of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is PSFIIAWARPXTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-4-27-18-12-8-11-17-13-19(28-20(17)18)14(2)24-22(26)21-15(3)25-23(29-21)16-9-6-5-7-10-16/h5-14H,4H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18282452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).