N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide

C23H24N2O5S — CID 46680144

IUPACN-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc(OC)c1OC
InChIInChI=1S/C23H24N2O5S/c1-27-19-10-14(11-20(28-2)22(19)29-3)4-7-21(26)25-23-24-17(13-31-23)15-5-6-18-16(12-15)8-9-30-18/h5-6,10-13H,4,7-9H2,1-3H3,(H,24,25,26)
InChIKeyHUBQXRFPJYSEDD-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.34
Rot. Bonds8

About N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 46680144) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID46680144
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC NameN-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc(OC)c1OC
InChIInChI=1S/C23H24N2O5S/c1-27-19-10-14(11-20(28-2)22(19)29-3)4-7-21(26)25-23-24-17(13-31-23)15-5-6-18-16(12-15)8-9-30-18/h5-6,10-13H,4,7-9H2,1-3H3,(H,24,25,26)
InChIKeyHUBQXRFPJYSEDD-UHFFFAOYSA-N
XLogP4.34
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119699062
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 55487502
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46680308
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55776175
N-[4-[[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 46680202
3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19220711
methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate
CID 116966357
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78869742
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119699050
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-phenylpropylsulfonyl)acetamide
CID 55687249
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2109084
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 46668396

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 46680144) is N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc(OC)c1OC.
What is the InChIKey of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is HUBQXRFPJYSEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-27-19-10-14(11-20(28-2)22(19)29-3)4-7-21(26)25-23-24-17(13-31-23)15-5-6-18-16(12-15)8-9-30-18/h5-6,10-13H,4,7-9H2,1-3H3,(H,24,25,26).
What are the key properties of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 440.52 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 46680144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).