N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide

C28H24FN3O5S — CID 1451010

IUPACN-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCN4C(=O)c3ccc(F)cc3)cs2)cc(OC)c1OC
InChIInChI=1S/C28H24FN3O5S/c1-35-23-13-19(14-24(36-2)25(23)37-3)26(33)31-28-30-21(15-38-28)17-6-9-22-18(12-17)10-11-32(22)27(34)16-4-7-20(29)8-5-16/h4-9,12-15H,10-11H2,1-3H3,(H,30,31,33)
InChIKeyXUYKGBWCCQGVOZ-UHFFFAOYSA-N
MW533.58 g/mol
LogP5.43
Rot. Bonds7

About N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide

N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide (PubChem CID 1451010) has the molecular formula C28H24FN3O5S and a molecular weight of 533.58 g/mol. Its IUPAC name is N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
PubChem CID1451010
Molecular FormulaC28H24FN3O5S
Molecular Weight533.58 g/mol
Exact Mass533.14
IUPAC NameN-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCN4C(=O)c3ccc(F)cc3)cs2)cc(OC)c1OC
InChIInChI=1S/C28H24FN3O5S/c1-35-23-13-19(14-24(36-2)25(23)37-3)26(33)31-28-30-21(15-38-28)17-6-9-22-18(12-17)10-11-32(22)27(34)16-4-7-20(29)8-5-16/h4-9,12-15H,10-11H2,1-3H3,(H,30,31,33)
InChIKeyXUYKGBWCCQGVOZ-UHFFFAOYSA-N
XLogP5.43
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.58
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide with MolForge

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Related Compounds

N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 1458222
1-(4-fluorobenzoyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 100801512
N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
CID 1450514
N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 3231852
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 39073479
3,4-difluoro-N-[4-[1-(2-methylbutanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide
CID 3226579
3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8916252
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
1-acetyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
CID 36538459
3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3917091
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 53262914
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 39073463

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide (CID 1451010) is N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCN4C(=O)c3ccc(F)cc3)cs2)cc(OC)c1OC.
What is the InChIKey of N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is XUYKGBWCCQGVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O5S/c1-35-23-13-19(14-24(36-2)25(23)37-3)26(33)31-28-30-21(15-38-28)17-6-9-22-18(12-17)10-11-32(22)27(34)16-4-7-20(29)8-5-16/h4-9,12-15H,10-11H2,1-3H3,(H,30,31,33).
What are the key properties of N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide?
N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 533.58 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1451010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).