N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide

C23H26N2O3S — CID 42807114

IUPACN-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide
SMILESCOc1ccccc1N1C(=O)CSC1c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C23H26N2O3S/c1-28-20-10-6-5-9-19(20)25-21(26)15-29-23(25)17-11-13-18(14-12-17)24-22(27)16-7-3-2-4-8-16/h5-6,9-14,16,23H,2-4,7-8,15H2,1H3,(H,24,27)
InChIKeyNXERBEYDBOKHQY-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.99
Rot. Bonds5

About N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide

N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide (PubChem CID 42807114) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide
PubChem CID42807114
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide
SMILESCOc1ccccc1N1C(=O)CSC1c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C23H26N2O3S/c1-28-20-10-6-5-9-19(20)25-21(26)15-29-23(25)17-11-13-18(14-12-17)24-22(27)16-7-3-2-4-8-16/h5-6,9-14,16,23H,2-4,7-8,15H2,1H3,(H,24,27)
InChIKeyNXERBEYDBOKHQY-UHFFFAOYSA-N
XLogP4.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide
CID 42804330
N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 42807105
4-fluoro-N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42807109
4-tert-butyl-N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126876
ethyl 4-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]anilino]-4-oxobutanoate
CID 42807132
N-[4-[3-(2,5-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclobutanecarboxamide
CID 42806187
N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]cyclopentanecarboxamide
CID 93126935
2-chloro-N-[3-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126881
N-[4-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93125898
N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-fluorobenzamide
CID 93126247
N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
CID 93126259
N-[4-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
CID 46132819

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide (CID 42807114) is N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide is COc1ccccc1N1C(=O)CSC1c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide?
The InChIKey is NXERBEYDBOKHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-28-20-10-6-5-9-19(20)25-21(26)15-29-23(25)17-11-13-18(14-12-17)24-22(27)16-7-3-2-4-8-16/h5-6,9-14,16,23H,2-4,7-8,15H2,1H3,(H,24,27).
What are the key properties of N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide?
N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide has a molecular weight of 410.54 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 42807114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).