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

C24H25N3O4S — CID 53377425

IUPAC3,5-dimethoxy-N-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide
SMILESCCC(=O)N1CCc2cc(-c3csc(N(C)C(=O)c4cc(OC)cc(OC)c4)n3)ccc21
InChIInChI=1S/C24H25N3O4S/c1-5-22(28)27-9-8-16-10-15(6-7-21(16)27)20-14-32-24(25-20)26(2)23(29)17-11-18(30-3)13-19(12-17)31-4/h6-7,10-14H,5,8-9H2,1-4H3
InChIKeyCFGMFNNBLLZGSI-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.40
Rot. Bonds6

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

3,5-dimethoxy-N-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 53377425) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 3,5-dimethoxy-N-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID53377425
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name3,5-dimethoxy-N-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide
SMILESCCC(=O)N1CCc2cc(-c3csc(N(C)C(=O)c4cc(OC)cc(OC)c4)n3)ccc21
InChIInChI=1S/C24H25N3O4S/c1-5-22(28)27-9-8-16-10-15(6-7-21(16)27)20-14-32-24(25-20)26(2)23(29)17-11-18(30-3)13-19(12-17)31-4/h6-7,10-14H,5,8-9H2,1-4H3
InChIKeyCFGMFNNBLLZGSI-UHFFFAOYSA-N
XLogP4.40
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenyl)-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
CID 27899486
2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 1458890
N-(4-phenyl-1,3-thiazol-2-yl)-1-propanoyl-N-prop-2-enyl-2,3-dihydroindole-5-carboxamide
CID 55787443
(2,4-dimethoxyphenyl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
CID 34162563
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
CID 34712894
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 53262914
N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109826
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 53348009
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1,3-oxazole-4-carboxamide
CID 53347968
(2R)-N-[4-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-N,2-dimethylbutanamide
CID 51593685
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 24761960
3-[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzonitrile
CID 25477722

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide (CID 53377425) is 3,5-dimethoxy-N-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide is CCC(=O)N1CCc2cc(-c3csc(N(C)C(=O)c4cc(OC)cc(OC)c4)n3)ccc21.
What is the InChIKey of 3,5-dimethoxy-N-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is CFGMFNNBLLZGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-5-22(28)27-9-8-16-10-15(6-7-21(16)27)20-14-32-24(25-20)26(2)23(29)17-11-18(30-3)13-19(12-17)31-4/h6-7,10-14H,5,8-9H2,1-4H3.
What are the key properties of 3,5-dimethoxy-N-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide?
3,5-dimethoxy-N-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 451.55 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 53377425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).