3-(3,4-dimethoxybenzoyl)-N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide

C23H21FN2O4S2 — CID 4040179

IUPAC3-(3,4-dimethoxybenzoyl)-N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2C(C(=O)Nc3ccc(F)cc3)CSC2c2cccs2)cc1OC
InChIInChI=1S/C23H21FN2O4S2/c1-29-18-10-5-14(12-19(18)30-2)22(28)26-17(13-32-23(26)20-4-3-11-31-20)21(27)25-16-8-6-15(24)7-9-16/h3-12,17,23H,13H2,1-2H3,(H,25,27)
InChIKeyHVMNPUKXEBVUEC-UHFFFAOYSA-N
MW472.56 g/mol
LogP4.80
Rot. Bonds6

About 3-(3,4-dimethoxybenzoyl)-N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide

3-(3,4-dimethoxybenzoyl)-N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 4040179) has the molecular formula C23H21FN2O4S2 and a molecular weight of 472.56 g/mol. Its IUPAC name is 3-(3,4-dimethoxybenzoyl)-N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxybenzoyl)-N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
PubChem CID4040179
Molecular FormulaC23H21FN2O4S2
Molecular Weight472.56 g/mol
Exact Mass472.09
IUPAC Name3-(3,4-dimethoxybenzoyl)-N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2C(C(=O)Nc3ccc(F)cc3)CSC2c2cccs2)cc1OC
InChIInChI=1S/C23H21FN2O4S2/c1-29-18-10-5-14(12-19(18)30-2)22(28)26-17(13-32-23(26)20-4-3-11-31-20)21(27)25-16-8-6-15(24)7-9-16/h3-12,17,23H,13H2,1-2H3,(H,25,27)
InChIKeyHVMNPUKXEBVUEC-UHFFFAOYSA-N
XLogP4.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3,4-dimethoxybenzoyl)-N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744214
N-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 3565672
N-(4-fluorophenyl)-2-phenyl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3394328
N-butyl-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744205
3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42744233
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4530085
(2R,4R)-3-(4-chlorobenzoyl)-N-propyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 7225664
3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 4005541
2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 5226971
(3R,5S)-N-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide
CID 16670767
(3S,4R)-N-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 92654105
[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(4-fluorophenyl)methanone
CID 7428196

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxybenzoyl)-N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(3,4-dimethoxybenzoyl)-N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide (CID 4040179) is 3-(3,4-dimethoxybenzoyl)-N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxybenzoyl)-N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxybenzoyl)-N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide is COc1ccc(C(=O)N2C(C(=O)Nc3ccc(F)cc3)CSC2c2cccs2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxybenzoyl)-N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is HVMNPUKXEBVUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4S2/c1-29-18-10-5-14(12-19(18)30-2)22(28)26-17(13-32-23(26)20-4-3-11-31-20)21(27)25-16-8-6-15(24)7-9-16/h3-12,17,23H,13H2,1-2H3,(H,25,27).
What are the key properties of 3-(3,4-dimethoxybenzoyl)-N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide?
3-(3,4-dimethoxybenzoyl)-N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 472.56 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxybenzoyl)-N-(4-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 4040179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).