2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-N-(2-methylpropyl)pentanamide

C20H30N2O3S — CID 42816311

IUPAC2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-N-(2-methylpropyl)pentanamide
SMILESCOc1ccc(C2SCC(=O)N2C(CC(C)C)C(=O)NCC(C)C)cc1
InChIInChI=1S/C20H30N2O3S/c1-13(2)10-17(19(24)21-11-14(3)4)22-18(23)12-26-20(22)15-6-8-16(25-5)9-7-15/h6-9,13-14,17,20H,10-12H2,1-5H3,(H,21,24)
InChIKeyBDSHGYQBWMXIHL-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.46
Rot. Bonds8

About 2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-N-(2-methylpropyl)pentanamide

2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-N-(2-methylpropyl)pentanamide (PubChem CID 42816311) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-N-(2-methylpropyl)pentanamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-N-(2-methylpropyl)pentanamide
PubChem CID42816311
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Name2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-N-(2-methylpropyl)pentanamide
SMILESCOc1ccc(C2SCC(=O)N2C(CC(C)C)C(=O)NCC(C)C)cc1
InChIInChI=1S/C20H30N2O3S/c1-13(2)10-17(19(24)21-11-14(3)4)22-18(23)12-26-20(22)15-6-8-16(25-5)9-7-15/h6-9,13-14,17,20H,10-12H2,1-5H3,(H,21,24)
InChIKeyBDSHGYQBWMXIHL-UHFFFAOYSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylpentanamide
CID 42814985
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
CID 42816187
4-methyl-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]pentanoic acid
CID 42814613
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-methylpropyl)benzamide
CID 3139076
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 1278524
methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3402208
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 94012941
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 46764264
2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 42815102
N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide
CID 42814953
methyl 6-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]hexanoate
CID 3806298
2-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3866399

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-N-(2-methylpropyl)pentanamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-N-(2-methylpropyl)pentanamide (CID 42816311) is 2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-N-(2-methylpropyl)pentanamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-N-(2-methylpropyl)pentanamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-N-(2-methylpropyl)pentanamide is COc1ccc(C2SCC(=O)N2C(CC(C)C)C(=O)NCC(C)C)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-N-(2-methylpropyl)pentanamide?
The InChIKey is BDSHGYQBWMXIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-13(2)10-17(19(24)21-11-14(3)4)22-18(23)12-26-20(22)15-6-8-16(25-5)9-7-15/h6-9,13-14,17,20H,10-12H2,1-5H3,(H,21,24).
What are the key properties of 2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-N-(2-methylpropyl)pentanamide?
2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-N-(2-methylpropyl)pentanamide has a molecular weight of 378.54 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-N-(2-methylpropyl)pentanamide is sourced from PubChem (CID 42816311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).