3,5-dimethoxy-N-[4-[1-(2-methoxyacetyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide

C23H23N3O5S — CID 53377439

IUPAC3,5-dimethoxy-N-[4-[1-(2-methoxyacetyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCOCC(=O)N1CCc2cc(-c3csc(NC(=O)c4cc(OC)cc(OC)c4)n3)ccc21
InChIInChI=1S/C23H23N3O5S/c1-29-12-21(27)26-7-6-15-8-14(4-5-20(15)26)19-13-32-23(24-19)25-22(28)16-9-17(30-2)11-18(10-16)31-3/h4-5,8-11,13H,6-7,12H2,1-3H3,(H,24,25,28)
InChIKeyQKSHBFODFUXUIY-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.62
Rot. Bonds7

About 3,5-dimethoxy-N-[4-[1-(2-methoxyacetyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide

3,5-dimethoxy-N-[4-[1-(2-methoxyacetyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 53377439) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-[1-(2-methoxyacetyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[4-[1-(2-methoxyacetyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide
PubChem CID53377439
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Name3,5-dimethoxy-N-[4-[1-(2-methoxyacetyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCOCC(=O)N1CCc2cc(-c3csc(NC(=O)c4cc(OC)cc(OC)c4)n3)ccc21
InChIInChI=1S/C23H23N3O5S/c1-29-12-21(27)26-7-6-15-8-14(4-5-20(15)26)19-13-32-23(24-19)25-22(28)16-9-17(30-2)11-18(10-16)31-3/h4-5,8-11,13H,6-7,12H2,1-3H3,(H,24,25,28)
InChIKeyQKSHBFODFUXUIY-UHFFFAOYSA-N
XLogP3.62
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethoxy-N-[4-[1-(2-methoxyacetyl)indol-5-yl]-1,3-thiazol-2-yl]benzamide
CID 73775863
3,5-dimethoxy-N-[5-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 155532522
3,5-dimethoxy-N-[5-(1-methylpiperidin-4-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 155565343
N-[5-[3-(dimethylamino)propyl]-4-phenyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide;dihydrochloride
CID 155567128
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-(trifluoromethoxy)benzamide
CID 53347940
4-fluoro-3-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 53347984
Cjd-hdl-132-3
CID 53393834
tert-Butyl 5-(2-(3,5-dimethoxybenzamido)thiazol-4-yl)indoline-1-carboxylate
CID 53377409
5-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53377428
N-[4-(4-benzamidophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 16356600
3,5-dimethoxy-N-(4-(2-oxo-2-(phenethylamino)ethyl)thiazol-2-yl)benzamide
CID 18568063
2-(3-methoxyphenyl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 72187546

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[4-[1-(2-methoxyacetyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[4-[1-(2-methoxyacetyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide (CID 53377439) is 3,5-dimethoxy-N-[4-[1-(2-methoxyacetyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[4-[1-(2-methoxyacetyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[4-[1-(2-methoxyacetyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide is COCC(=O)N1CCc2cc(-c3csc(NC(=O)c4cc(OC)cc(OC)c4)n3)ccc21.
What is the InChIKey of 3,5-dimethoxy-N-[4-[1-(2-methoxyacetyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is QKSHBFODFUXUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-29-12-21(27)26-7-6-15-8-14(4-5-20(15)26)19-13-32-23(24-19)25-22(28)16-9-17(30-2)11-18(10-16)31-3/h4-5,8-11,13H,6-7,12H2,1-3H3,(H,24,25,28).
What are the key properties of 3,5-dimethoxy-N-[4-[1-(2-methoxyacetyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide?
3,5-dimethoxy-N-[4-[1-(2-methoxyacetyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 453.52 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[4-[1-(2-methoxyacetyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 53377439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).