3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide

C24H27N3O3S — CID 55893789

IUPAC3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)C2CSCN2C(=O)c2ccccc2)c1)C1CCCC1
InChIInChI=1S/C24H27N3O3S/c28-22(18-8-4-5-9-18)26-20-12-6-7-17(13-20)14-25-23(29)21-15-31-16-27(21)24(30)19-10-2-1-3-11-19/h1-3,6-7,10-13,18,21H,4-5,8-9,14-16H2,(H,25,29)(H,26,28)
InChIKeySJDJJOBGBCDDFS-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.65
Rot. Bonds6

About 3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide

3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 55893789) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID55893789
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)C2CSCN2C(=O)c2ccccc2)c1)C1CCCC1
InChIInChI=1S/C24H27N3O3S/c28-22(18-8-4-5-9-18)26-20-12-6-7-17(13-20)14-25-23(29)21-15-31-16-27(21)24(30)19-10-2-1-3-11-19/h1-3,6-7,10-13,18,21H,4-5,8-9,14-16H2,(H,25,29)(H,26,28)
InChIKeySJDJJOBGBCDDFS-UHFFFAOYSA-N
XLogP3.65
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-benzoyl-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 55984093
(4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 71889011
methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate
CID 55939179
(4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55938881
(4R)-3-benzoyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55938539
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
3-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 60555694
(4S)-N-benzyl-3-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 31982484
(4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide
CID 94834398
3-benzoyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 55698056
3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55515650
3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55800443

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide (CID 55893789) is 3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide is O=C(Nc1cccc(CNC(=O)C2CSCN2C(=O)c2ccccc2)c1)C1CCCC1.
What is the InChIKey of 3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is SJDJJOBGBCDDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c28-22(18-8-4-5-9-18)26-20-12-6-7-17(13-20)14-25-23(29)21-15-31-16-27(21)24(30)19-10-2-1-3-11-19/h1-3,6-7,10-13,18,21H,4-5,8-9,14-16H2,(H,25,29)(H,26,28).
What are the key properties of 3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55893789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).