3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

C19H27ClN2O3S — CID 42748221

IUPAC3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCOCCCNC(=O)C1CSC(CC(C)C)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C19H27ClN2O3S/c1-13(2)11-17-22(19(24)14-7-4-5-8-15(14)20)16(12-26-17)18(23)21-9-6-10-25-3/h4-5,7-8,13,16-17H,6,9-12H2,1-3H3,(H,21,23)
InChIKeyFCMFODSZBYCDRV-UHFFFAOYSA-N
MW398.96 g/mol
LogP3.42
Rot. Bonds8

About 3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42748221) has the molecular formula C19H27ClN2O3S and a molecular weight of 398.96 g/mol. Its IUPAC name is 3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42748221
Molecular FormulaC19H27ClN2O3S
Molecular Weight398.96 g/mol
Exact Mass398.14
IUPAC Name3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCOCCCNC(=O)C1CSC(CC(C)C)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C19H27ClN2O3S/c1-13(2)11-17-22(19(24)14-7-4-5-8-15(14)20)16(12-26-17)18(23)21-9-6-10-25-3/h4-5,7-8,13,16-17H,6,9-12H2,1-3H3,(H,21,23)
InChIKeyFCMFODSZBYCDRV-UHFFFAOYSA-N
XLogP3.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.96
LogP ≤ 53.42
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

3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42745397
N-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745097
N-butyl-3-(4-chlorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748224
N-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42744888
N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(2-fluorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 3670213
3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42748190
3-(4-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748228
3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744854
N-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744445
(2R,4R)-3-(2-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 809608
(2R,4R)-3-(2-chlorobenzoyl)-2-cyclohexyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 1198821
3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 3951099

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (CID 42748221) is 3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is COCCCNC(=O)C1CSC(CC(C)C)N1C(=O)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is FCMFODSZBYCDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3S/c1-13(2)11-17-22(19(24)14-7-4-5-8-15(14)20)16(12-26-17)18(23)21-9-6-10-25-3/h4-5,7-8,13,16-17H,6,9-12H2,1-3H3,(H,21,23).
What are the key properties of 3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 398.96 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42748221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).