N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylcyclobutanecarboxamide

C19H25ClN2O2S — CID 46137577

IUPACN-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylcyclobutanecarboxamide
SMILESCC(C)N(CCN1C(=O)CSC1c1ccccc1Cl)C(=O)C1CCC1
InChIInChI=1S/C19H25ClN2O2S/c1-13(2)21(18(24)14-6-5-7-14)10-11-22-17(23)12-25-19(22)15-8-3-4-9-16(15)20/h3-4,8-9,13-14,19H,5-7,10-12H2,1-2H3
InChIKeyNEFAVXZCIPZVLI-UHFFFAOYSA-N
MW380.94 g/mol
LogP3.95
Rot. Bonds6

About N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylcyclobutanecarboxamide

N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylcyclobutanecarboxamide (PubChem CID 46137577) has the molecular formula C19H25ClN2O2S and a molecular weight of 380.94 g/mol. Its IUPAC name is N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylcyclobutanecarboxamide
PubChem CID46137577
Molecular FormulaC19H25ClN2O2S
Molecular Weight380.94 g/mol
Exact Mass380.13
IUPAC NameN-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylcyclobutanecarboxamide
SMILESCC(C)N(CCN1C(=O)CSC1c1ccccc1Cl)C(=O)C1CCC1
InChIInChI=1S/C19H25ClN2O2S/c1-13(2)21(18(24)14-6-5-7-14)10-11-22-17(23)12-25-19(22)15-8-3-4-9-16(15)20/h3-4,8-9,13-14,19H,5-7,10-12H2,1-2H3
InChIKeyNEFAVXZCIPZVLI-UHFFFAOYSA-N
XLogP3.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.94
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclobutanecarboxamide
CID 42814526
3-fluoro-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylbenzamide
CID 42815602
methyl 2-acetamido-6-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]hexanoate
CID 3594517
2-(2-fluorophenyl)-3-(2-hydroxypropyl)-1,3-thiazolidin-4-one
CID 24712043
2-(2,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 3792861
3-(1,3-benzodioxol-5-ylmethyl)-2-(2-chlorophenyl)-1,3-thiazolidin-4-one
CID 3862621
2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 42814418
2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(2-methoxyethyl)propanamide
CID 42814932
1-[2-[2-(2-chlorophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-ethyl-3-propan-2-ylurea
CID 42815421
2-(2-fluorophenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one
CID 4097761
3-(2-hydroxyethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 5008068
(2S)-2-(2-chlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 732386

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylcyclobutanecarboxamide?
The IUPAC name of N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylcyclobutanecarboxamide (CID 46137577) is N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylcyclobutanecarboxamide.
What is the SMILES notation for N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylcyclobutanecarboxamide?
The canonical SMILES for N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylcyclobutanecarboxamide is CC(C)N(CCN1C(=O)CSC1c1ccccc1Cl)C(=O)C1CCC1.
What is the InChIKey of N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylcyclobutanecarboxamide?
The InChIKey is NEFAVXZCIPZVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2S/c1-13(2)21(18(24)14-6-5-7-14)10-11-22-17(23)12-25-19(22)15-8-3-4-9-16(15)20/h3-4,8-9,13-14,19H,5-7,10-12H2,1-2H3.
What are the key properties of N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylcyclobutanecarboxamide?
N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylcyclobutanecarboxamide has a molecular weight of 380.94 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylcyclobutanecarboxamide is sourced from PubChem (CID 46137577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).