2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide

C24H28ClN3O3S — CID 42744832

IUPAC2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1C(C(=O)NCCN2CCOCC2)CSC1c1ccccc1Cl
InChIInChI=1S/C24H28ClN3O3S/c1-17-6-2-3-7-18(17)23(30)28-21(16-32-24(28)19-8-4-5-9-20(19)25)22(29)26-10-11-27-12-14-31-15-13-27/h2-9,21,24H,10-16H2,1H3,(H,26,29)
InChIKeyAWQXMVFIXIMULR-UHFFFAOYSA-N
MW474.03 g/mol
LogP3.35
Rot. Bonds6

About 2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide

2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744832) has the molecular formula C24H28ClN3O3S and a molecular weight of 474.03 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744832
Molecular FormulaC24H28ClN3O3S
Molecular Weight474.03 g/mol
Exact Mass473.15
IUPAC Name2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1C(C(=O)NCCN2CCOCC2)CSC1c1ccccc1Cl
InChIInChI=1S/C24H28ClN3O3S/c1-17-6-2-3-7-18(17)23(30)28-21(16-32-24(28)19-8-4-5-9-20(19)25)22(29)26-10-11-27-12-14-31-15-13-27/h2-9,21,24H,10-16H2,1H3,(H,26,29)
InChIKeyAWQXMVFIXIMULR-UHFFFAOYSA-N
XLogP3.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.03
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 42744835
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
2-(3-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42748313
2-(furan-3-yl)-N-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 42745041
(2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide
CID 7215999
(2R,4R)-N-butyl-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide
CID 7419657
2-(2-chlorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one
CID 3771518
(2R,4R)-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7232108
2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 3537215
(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 7356695
(2R,4R)-2-(2-chlorophenyl)-3-(2-methylpropanoyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 7414492
3-(2-methylbenzoyl)-N-(2-methylpropyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 42744803

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide (CID 42744832) is 2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide is Cc1ccccc1C(=O)N1C(C(=O)NCCN2CCOCC2)CSC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is AWQXMVFIXIMULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3S/c1-17-6-2-3-7-18(17)23(30)28-21(16-32-24(28)19-8-4-5-9-20(19)25)22(29)26-10-11-27-12-14-31-15-13-27/h2-9,21,24H,10-16H2,1H3,(H,26,29).
What are the key properties of 2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 474.03 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).