N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylpentanamide

C20H28N2O4S — CID 42814985

IUPACN-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylpentanamide
SMILESCOc1ccc(C2SCC(=O)N2C(CC(C)C)C(=O)NC2CC2)cc1OC
InChIInChI=1S/C20H28N2O4S/c1-12(2)9-15(19(24)21-14-6-7-14)22-18(23)11-27-20(22)13-5-8-16(25-3)17(10-13)26-4/h5,8,10,12,14-15,20H,6-7,9,11H2,1-4H3,(H,21,24)
InChIKeyHKNMWZRHEWLWTF-UHFFFAOYSA-N
MW392.52 g/mol
LogP2.97
Rot. Bonds8

About N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylpentanamide

N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylpentanamide (PubChem CID 42814985) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylpentanamide
PubChem CID42814985
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC NameN-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylpentanamide
SMILESCOc1ccc(C2SCC(=O)N2C(CC(C)C)C(=O)NC2CC2)cc1OC
InChIInChI=1S/C20H28N2O4S/c1-12(2)9-15(19(24)21-14-6-7-14)22-18(23)11-27-20(22)13-5-8-16(25-3)17(10-13)26-4/h5,8,10,12,14-15,20H,6-7,9,11H2,1-4H3,(H,21,24)
InChIKeyHKNMWZRHEWLWTF-UHFFFAOYSA-N
XLogP2.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-N-(2-methylpropyl)pentanamide
CID 42816311
2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 42814961
4-methyl-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]pentanoic acid
CID 42814613
N-cyclopropyl-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide
CID 42814955
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 46772568
(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 7107838
2-(2-methoxyphenyl)-3-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-1,3-thiazolidin-4-one
CID 42814998
3-[(2,6-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3388079
(2R)-3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 680812
3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile
CID 3859836
4-methyl-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]pentanoic acid
CID 42795852
2-(3,4-dimethoxyphenyl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3817985

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylpentanamide?
The IUPAC name of N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylpentanamide (CID 42814985) is N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylpentanamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylpentanamide?
The canonical SMILES for N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylpentanamide is COc1ccc(C2SCC(=O)N2C(CC(C)C)C(=O)NC2CC2)cc1OC.
What is the InChIKey of N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylpentanamide?
The InChIKey is HKNMWZRHEWLWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-12(2)9-15(19(24)21-14-6-7-14)22-18(23)11-27-20(22)13-5-8-16(25-3)17(10-13)26-4/h5,8,10,12,14-15,20H,6-7,9,11H2,1-4H3,(H,21,24).
What are the key properties of N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylpentanamide?
N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylpentanamide has a molecular weight of 392.52 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylpentanamide is sourced from PubChem (CID 42814985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).