3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide

C22H26N2O4S — CID 42744233

IUPAC3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
SMILESCCCNC(=O)C1CSC(c2ccccc2)N1C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H26N2O4S/c1-4-12-23-20(25)17-14-29-22(15-8-6-5-7-9-15)24(17)21(26)16-10-11-18(27-2)19(13-16)28-3/h5-11,13,17,22H,4,12,14H2,1-3H3,(H,23,25)
InChIKeyIGBRZPZBRIZJGZ-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.49
Rot. Bonds7

About 3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide

3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide (PubChem CID 42744233) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
PubChem CID42744233
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
SMILESCCCNC(=O)C1CSC(c2ccccc2)N1C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H26N2O4S/c1-4-12-23-20(25)17-14-29-22(15-8-6-5-7-9-15)24(17)21(26)16-10-11-18(27-2)19(13-16)28-3/h5-11,13,17,22H,4,12,14H2,1-3H3,(H,23,25)
InChIKeyIGBRZPZBRIZJGZ-UHFFFAOYSA-N
XLogP3.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42744343
N-benzyl-2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42748764
N-butyl-2-(4-tert-butylphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749107
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4530085
2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42748773
N-butyl-2-(3,4-dimethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 5002325
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
(2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 93097559
N-(4-fluorophenyl)-2-phenyl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3394328
N-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 3565672
N-butyl-2-thiophen-2-yl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744205

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide (CID 42744233) is 3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide is CCCNC(=O)C1CSC(c2ccccc2)N1C(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is IGBRZPZBRIZJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-4-12-23-20(25)17-14-29-22(15-8-6-5-7-9-15)24(17)21(26)16-10-11-18(27-2)19(13-16)28-3/h5-11,13,17,22H,4,12,14H2,1-3H3,(H,23,25).
What are the key properties of 3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide?
3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).