N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide

C28H32N2O3S — CID 93125674

IUPACN-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide
SMILESCCOc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1
InChIInChI=1S/C28H32N2O3S/c1-2-33-24-9-7-23(8-10-24)30-25(31)17-34-26(30)21-3-5-22(6-4-21)29-27(32)28-14-18-11-19(15-28)13-20(12-18)16-28/h3-10,18-20,26H,2,11-17H2,1H3,(H,29,32)/t18?,19?,20?,26-,28?/m1/s1
InChIKeyFZKFAMOLMOJXBE-JUYOQADGSA-N
MW476.64 g/mol
LogP6.02
Rot. Bonds6

About N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide

N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide (PubChem CID 93125674) has the molecular formula C28H32N2O3S and a molecular weight of 476.64 g/mol. Its IUPAC name is N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide
PubChem CID93125674
Molecular FormulaC28H32N2O3S
Molecular Weight476.64 g/mol
Exact Mass476.21
IUPAC NameN-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide
SMILESCCOc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1
InChIInChI=1S/C28H32N2O3S/c1-2-33-24-9-7-23(8-10-24)30-25(31)17-34-26(30)21-3-5-22(6-4-21)29-27(32)28-14-18-11-19(15-28)13-20(12-18)16-28/h3-10,18-20,26H,2,11-17H2,1H3,(H,29,32)/t18?,19?,20?,26-,28?/m1/s1
InChIKeyFZKFAMOLMOJXBE-JUYOQADGSA-N
XLogP6.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.64
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 23958782
N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide
CID 93125682
4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125663
4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125677
N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 4231601
3-bromo-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125670
N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 93125671
(2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274921
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 3861297
N-[3-[(2R)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide
CID 93127122
4-butoxy-N-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42667006
N-(4-chlorophenyl)-2-[4-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]acetamide
CID 168510419

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide (CID 93125674) is N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide is CCOc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1.
What is the InChIKey of N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide?
The InChIKey is FZKFAMOLMOJXBE-JUYOQADGSA-N. The full InChI is InChI=1S/C28H32N2O3S/c1-2-33-24-9-7-23(8-10-24)30-25(31)17-34-26(30)21-3-5-22(6-4-21)29-27(32)28-14-18-11-19(15-28)13-20(12-18)16-28/h3-10,18-20,26H,2,11-17H2,1H3,(H,29,32)/t18?,19?,20?,26-,28?/m1/s1.
What are the key properties of N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide?
N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide has a molecular weight of 476.64 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 93125674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).