N-(3,3-diphenylpropyl)-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide

C35H35FN2O5S — CID 42743959

IUPACN-(3,3-diphenylpropyl)-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(C(=O)N2C(C(=O)NCCC(c3ccccc3)c3ccccc3)CSC2c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C35H35FN2O5S/c1-41-30-20-26(21-31(42-2)32(30)43-3)34(40)38-29(22-44-35(38)25-14-16-27(36)17-15-25)33(39)37-19-18-28(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-17,20-21,28-29,35H,18-19,22H2,1-3H3,(H,37,39)
InChIKeyXXXNOYZLEVLFAF-UHFFFAOYSA-N
MW614.74 g/mol
LogP6.45
Rot. Bonds11

About N-(3,3-diphenylpropyl)-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide

N-(3,3-diphenylpropyl)-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42743959) has the molecular formula C35H35FN2O5S and a molecular weight of 614.74 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42743959
Molecular FormulaC35H35FN2O5S
Molecular Weight614.74 g/mol
Exact Mass614.23
IUPAC NameN-(3,3-diphenylpropyl)-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(C(=O)N2C(C(=O)NCCC(c3ccccc3)c3ccccc3)CSC2c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C35H35FN2O5S/c1-41-30-20-26(21-31(42-2)32(30)43-3)34(40)38-29(22-44-35(38)25-14-16-27(36)17-15-25)33(39)37-19-18-28(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-17,20-21,28-29,35H,18-19,22H2,1-3H3,(H,37,39)
InChIKeyXXXNOYZLEVLFAF-UHFFFAOYSA-N
XLogP6.45
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.74
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide (CID 42743959) is N-(3,3-diphenylpropyl)-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide is COc1cc(C(=O)N2C(C(=O)NCCC(c3ccccc3)c3ccccc3)CSC2c2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is XXXNOYZLEVLFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35FN2O5S/c1-41-30-20-26(21-31(42-2)32(30)43-3)34(40)38-29(22-44-35(38)25-14-16-27(36)17-15-25)33(39)37-19-18-28(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-17,20-21,28-29,35H,18-19,22H2,1-3H3,(H,37,39).
What are the key properties of N-(3,3-diphenylpropyl)-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
N-(3,3-diphenylpropyl)-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 614.74 g/mol, XLogP of 6.45, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42743959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).