N-(3,3-diphenylpropyl)-2-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide

C36H35F3N2O5S — CID 4563464

IUPACN-(3,3-diphenylpropyl)-2-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(C(=O)N2C(C(=O)NCCC(c3ccccc3)c3ccccc3)CSC2c2ccc(C(F)(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C36H35F3N2O5S/c1-44-30-20-26(21-31(45-2)32(30)46-3)34(43)41-29(22-47-35(41)25-14-16-27(17-15-25)36(37,38)39)33(42)40-19-18-28(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,40,42)
InChIKeyMWGFAIXVTCGDKA-UHFFFAOYSA-N
MW664.75 g/mol
LogP7.33
Rot. Bonds11

About N-(3,3-diphenylpropyl)-2-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide

N-(3,3-diphenylpropyl)-2-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 4563464) has the molecular formula C36H35F3N2O5S and a molecular weight of 664.75 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID4563464
Molecular FormulaC36H35F3N2O5S
Molecular Weight664.75 g/mol
Exact Mass664.22
IUPAC NameN-(3,3-diphenylpropyl)-2-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(C(=O)N2C(C(=O)NCCC(c3ccccc3)c3ccccc3)CSC2c2ccc(C(F)(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C36H35F3N2O5S/c1-44-30-20-26(21-31(45-2)32(30)46-3)34(43)41-29(22-47-35(41)25-14-16-27(17-15-25)36(37,38)39)33(42)40-19-18-28(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,40,42)
InChIKeyMWGFAIXVTCGDKA-UHFFFAOYSA-N
XLogP7.33
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.75
LogP ≤ 57.33
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-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide (CID 4563464) is N-(3,3-diphenylpropyl)-2-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide is COc1cc(C(=O)N2C(C(=O)NCCC(c3ccccc3)c3ccccc3)CSC2c2ccc(C(F)(F)F)cc2)cc(OC)c1OC.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is MWGFAIXVTCGDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35F3N2O5S/c1-44-30-20-26(21-31(45-2)32(30)46-3)34(43)41-29(22-47-35(41)25-14-16-27(17-15-25)36(37,38)39)33(42)40-19-18-28(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,40,42).
What are the key properties of N-(3,3-diphenylpropyl)-2-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
N-(3,3-diphenylpropyl)-2-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 664.75 g/mol, XLogP of 7.33, 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-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 4563464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).