N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C18H25N3O2S — CID 94819247

IUPACN-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCc1ccc([C@H](CNC(=O)CN2CSCC2=O)N2CCCC2)cc1
InChIInChI=1S/C18H25N3O2S/c1-14-4-6-15(7-5-14)16(20-8-2-3-9-20)10-19-17(22)11-21-13-24-12-18(21)23/h4-7,16H,2-3,8-13H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyVEXSBPZURLFBKC-INIZCTEOSA-N
MW347.48 g/mol
LogP1.78
Rot. Bonds6

About N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 94819247) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID94819247
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCc1ccc([C@H](CNC(=O)CN2CSCC2=O)N2CCCC2)cc1
InChIInChI=1S/C18H25N3O2S/c1-14-4-6-15(7-5-14)16(20-8-2-3-9-20)10-19-17(22)11-21-13-24-12-18(21)23/h4-7,16H,2-3,8-13H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyVEXSBPZURLFBKC-INIZCTEOSA-N
XLogP1.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 35343824
3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylpropanoic acid
CID 62884019
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 43843128
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 119527141
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 35181296
2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119866490
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 35126659
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 17012003
2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 35129885
2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 35043931

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 94819247) is N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is Cc1ccc([C@H](CNC(=O)CN2CSCC2=O)N2CCCC2)cc1.
What is the InChIKey of N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is VEXSBPZURLFBKC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-14-4-6-15(7-5-14)16(20-8-2-3-9-20)10-19-17(22)11-21-13-24-12-18(21)23/h4-7,16H,2-3,8-13H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 347.48 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 94819247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).