4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide

C21H25N3O4S — CID 7421671

IUPAC4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C21H25N3O4S/c25-19-15-29-21(24(19)14-18-2-1-11-28-18)17-5-3-16(4-6-17)20(26)22-7-8-23-9-12-27-13-10-23/h1-6,11,21H,7-10,12-15H2,(H,22,26)/t21-/m0/s1
InChIKeyPHWIJVQDQVTIRJ-NRFANRHFSA-N
MW415.52 g/mol
LogP2.12
Rot. Bonds7

About 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide

4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 7421671) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID7421671
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C21H25N3O4S/c25-19-15-29-21(24(19)14-18-2-1-11-28-18)17-5-3-16(4-6-17)20(26)22-7-8-23-9-12-27-13-10-23/h1-6,11,21H,7-10,12-15H2,(H,22,26)/t21-/m0/s1
InChIKeyPHWIJVQDQVTIRJ-NRFANRHFSA-N
XLogP2.12
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 967750
4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid
CID 967754
N-(2,6-difluorophenyl)-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 989334
N-[(2-chlorophenyl)methyl]-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 3883772
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 126415978
(2R)-3-(furan-2-ylmethyl)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one
CID 124550291
N-[(1-benzylpiperidin-4-ylidene)amino]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 126345598
4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 92684153
4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-naphthalen-1-ylbenzamide
CID 41066332
N-(3-acetylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 1284773
N-(2,3-dimethylphenyl)-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 4033935
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methylsulfanylphenyl)benzamide
CID 11837036

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide (CID 7421671) is 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide is O=C(NCCN1CCOCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1.
What is the InChIKey of 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is PHWIJVQDQVTIRJ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25N3O4S/c25-19-15-29-21(24(19)14-18-2-1-11-28-18)17-5-3-16(4-6-17)20(26)22-7-8-23-9-12-27-13-10-23/h1-6,11,21H,7-10,12-15H2,(H,22,26)/t21-/m0/s1.
What are the key properties of 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide?
4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 415.52 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 7421671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).