N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide

C30H33FN2O7S — CID 4530085

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CSC(c3ccc(F)cc3)N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C30H33FN2O7S/c1-36-23-11-6-18(14-24(23)37-2)12-13-32-28(34)22-17-41-30(19-7-9-21(31)10-8-19)33(22)29(35)20-15-25(38-3)27(40-5)26(16-20)39-4/h6-11,14-16,22,30H,12-13,17H2,1-5H3,(H,32,34)
InChIKeyGYEDWIQNAFXHGN-UHFFFAOYSA-N
MW584.67 g/mol
LogP4.48
Rot. Bonds11

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 4530085) has the molecular formula C30H33FN2O7S and a molecular weight of 584.67 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID4530085
Molecular FormulaC30H33FN2O7S
Molecular Weight584.67 g/mol
Exact Mass584.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CSC(c3ccc(F)cc3)N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C30H33FN2O7S/c1-36-23-11-6-18(14-24(23)37-2)12-13-32-28(34)22-17-41-30(19-7-9-21(31)10-8-19)33(22)29(35)20-15-25(38-3)27(40-5)26(16-20)39-4/h6-11,14-16,22,30H,12-13,17H2,1-5H3,(H,32,34)
InChIKeyGYEDWIQNAFXHGN-UHFFFAOYSA-N
XLogP4.48
TPSA95.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.67
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 5226971
N-benzyl-2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42748764
2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42748773
N-(4-fluorophenyl)-2-phenyl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3394328
N-butyl-2-(4-tert-butylphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749107
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 42744695
3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42744233
(2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 93097559
2-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749106
3-(3,4-dimethoxybenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 3942883
N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749372
2-pentyl-N-(2-phenylethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744456

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide (CID 4530085) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide is COc1ccc(CCNC(=O)C2CSC(c3ccc(F)cc3)N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is GYEDWIQNAFXHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN2O7S/c1-36-23-11-6-18(14-24(23)37-2)12-13-32-28(34)22-17-41-30(19-7-9-21(31)10-8-19)33(22)29(35)20-15-25(38-3)27(40-5)26(16-20)39-4/h6-11,14-16,22,30H,12-13,17H2,1-5H3,(H,32,34).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 584.67 g/mol, XLogP of 4.48, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 4530085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).