3-(4-chlorobenzoyl)-2-ethyl-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide

C16H21ClN2O3S — CID 4022809

IUPAC3-(4-chlorobenzoyl)-2-ethyl-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC1SCC(C(=O)NCCOC)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O3S/c1-3-14-19(16(21)11-4-6-12(17)7-5-11)13(10-23-14)15(20)18-8-9-22-2/h4-7,13-14H,3,8-10H2,1-2H3,(H,18,20)
InChIKeyNOYVJCKZDSGYHE-UHFFFAOYSA-N
MW356.88 g/mol
LogP2.40
Rot. Bonds6

About 3-(4-chlorobenzoyl)-2-ethyl-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide

3-(4-chlorobenzoyl)-2-ethyl-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 4022809) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is 3-(4-chlorobenzoyl)-2-ethyl-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorobenzoyl)-2-ethyl-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID4022809
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC Name3-(4-chlorobenzoyl)-2-ethyl-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC1SCC(C(=O)NCCOC)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O3S/c1-3-14-19(16(21)11-4-6-12(17)7-5-11)13(10-23-14)15(20)18-8-9-22-2/h4-7,13-14H,3,8-10H2,1-2H3,(H,18,20)
InChIKeyNOYVJCKZDSGYHE-UHFFFAOYSA-N
XLogP2.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(4-chlorophenyl)formamido]-N-cyclopentyl-7-sulfanylheptanamide
CID 23634890
Methyl 3-benzoyl-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 3741721
4-chloro-N-(2-oxothiolan-3-yl)benzamide
CID 2769118
3-chloro-N-(2-oxothiolan-3-yl)benzamide
CID 2769116
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 3540012
2-Oxopropyl 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 3569453
N-[1-(tert-butylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 4876255
Methyl 2-[[2-[(4-chlorobenzoyl)amino]-3-methylbutanoyl]amino]acetate
CID 5005247
N1-((3-(4-chlorobenzoyl)oxazolidin-2-yl)methyl)-N2-(2-methoxyethyl)oxalamide
CID 12005802
N'-[(4-chlorophenyl)methyl]-N-{[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl}ethanediamide
CID 12005904
2-chloro-N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide
CID 25163051
N-[4-((S)-1-Amino-2-oxo-2-thiazolidin-3-yl-ethyl)-cyclohexyl]-3,4-dichloro-benzamide
CID 44360910

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorobenzoyl)-2-ethyl-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-chlorobenzoyl)-2-ethyl-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide (CID 4022809) is 3-(4-chlorobenzoyl)-2-ethyl-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-chlorobenzoyl)-2-ethyl-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-chlorobenzoyl)-2-ethyl-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide is CCC1SCC(C(=O)NCCOC)N1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorobenzoyl)-2-ethyl-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is NOYVJCKZDSGYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3S/c1-3-14-19(16(21)11-4-6-12(17)7-5-11)13(10-23-14)15(20)18-8-9-22-2/h4-7,13-14H,3,8-10H2,1-2H3,(H,18,20).
What are the key properties of 3-(4-chlorobenzoyl)-2-ethyl-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide?
3-(4-chlorobenzoyl)-2-ethyl-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 356.88 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorobenzoyl)-2-ethyl-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 4022809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).