N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methylbutanamide

C23H26N2O2S — CID 93126491

IUPACN-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C23H26N2O2S/c1-15(2)12-21(26)24-19-9-6-17(7-10-19)23-25(22(27)14-28-23)20-11-8-16-4-3-5-18(16)13-20/h6-11,13,15,23H,3-5,12,14H2,1-2H3,(H,24,26)/t23-/m1/s1
InChIKeyROPXBMLWOBBMOB-HSZRJFAPSA-N
MW394.54 g/mol
LogP4.94
Rot. Bonds5

About N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methylbutanamide

N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methylbutanamide (PubChem CID 93126491) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methylbutanamide
PubChem CID93126491
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC NameN-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C23H26N2O2S/c1-15(2)12-21(26)24-19-9-6-17(7-10-19)23-25(22(27)14-28-23)20-11-8-16-4-3-5-18(16)13-20/h6-11,13,15,23H,3-5,12,14H2,1-2H3,(H,24,26)/t23-/m1/s1
InChIKeyROPXBMLWOBBMOB-HSZRJFAPSA-N
XLogP4.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
CID 93126441
4-butyl-N-[4-[(2S)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126490
N-[4-[3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzenesulfonamide
CID 42806226
N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide
CID 42804052
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 3861297
N-[3-[3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide
CID 42806172
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 42805213
N-[4-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 93005213
3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea
CID 46132400
N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide
CID 71956466
N-[4-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
CID 46132819
(3R)-N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,5,5-trimethylhexanamide
CID 93126239

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methylbutanamide (CID 93126491) is N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methylbutanamide?
The InChIKey is ROPXBMLWOBBMOB-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-15(2)12-21(26)24-19-9-6-17(7-10-19)23-25(22(27)14-28-23)20-11-8-16-4-3-5-18(16)13-20/h6-11,13,15,23H,3-5,12,14H2,1-2H3,(H,24,26)/t23-/m1/s1.
What are the key properties of N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methylbutanamide?
N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methylbutanamide has a molecular weight of 394.54 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 93126491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).