4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide

C29H29N3O3S — CID 5100242

IUPAC4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C29H29N3O3S/c33-26-20-36-29(32(26)19-16-21-8-2-1-3-9-21)23-14-12-22(13-15-23)27(34)30-25-11-5-4-10-24(25)28(35)31-17-6-7-18-31/h1-5,8-15,29H,6-7,16-20H2,(H,30,34)
InChIKeySRVNPRRDRBSKNM-UHFFFAOYSA-N
MW499.64 g/mol
LogP4.99
Rot. Bonds7

About 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide

4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 5100242) has the molecular formula C29H29N3O3S and a molecular weight of 499.64 g/mol. Its IUPAC name is 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID5100242
Molecular FormulaC29H29N3O3S
Molecular Weight499.64 g/mol
Exact Mass499.19
IUPAC Name4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C29H29N3O3S/c33-26-20-36-29(32(26)19-16-21-8-2-1-3-9-21)23-14-12-22(13-15-23)27(34)30-25-11-5-4-10-24(25)28(35)31-17-6-7-18-31/h1-5,8-15,29H,6-7,16-20H2,(H,30,34)
InChIKeySRVNPRRDRBSKNM-UHFFFAOYSA-N
XLogP4.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 42502751
methyl 2-methyl-3-[[4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzoyl]amino]benzoate
CID 21372053
N-(4-iodophenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 126118506
(2R)-2-[4-(morpholine-4-carbonyl)phenyl]-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 1209526
4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(4-phenylmethoxyphenyl)benzamide
CID 126180008
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 126172626
methyl 4-[[4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzoyl]amino]benzoate
CID 982903
4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126178762
N-(5-chloro-2-methoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 5066710
N-(4-ethoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 5053317
N-(2-methoxyethyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 3149481
4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 21372044

Frequently Asked Questions

What is the IUPAC name of 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 5100242) is 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide is O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1.
What is the InChIKey of 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is SRVNPRRDRBSKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3S/c33-26-20-36-29(32(26)19-16-21-8-2-1-3-9-21)23-14-12-22(13-15-23)27(34)30-25-11-5-4-10-24(25)28(35)31-17-6-7-18-31/h1-5,8-15,29H,6-7,16-20H2,(H,30,34).
What are the key properties of 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 499.64 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 5100242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).