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

C21H29ClN2O3S — CID 42744147

IUPAC3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide
SMILESCOCCCNC(=O)C1CSC(C2CCCCC2)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H29ClN2O3S/c1-27-13-5-12-23-19(25)18-14-28-21(16-6-3-2-4-7-16)24(18)20(26)15-8-10-17(22)11-9-15/h8-11,16,18,21H,2-7,12-14H2,1H3,(H,23,25)
InChIKeyCFXXUIZIKIUTNJ-UHFFFAOYSA-N
MW424.99 g/mol
LogP3.96
Rot. Bonds7

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

3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744147) has the molecular formula C21H29ClN2O3S and a molecular weight of 424.99 g/mol. Its IUPAC name is 3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744147
Molecular FormulaC21H29ClN2O3S
Molecular Weight424.99 g/mol
Exact Mass424.16
IUPAC Name3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide
SMILESCOCCCNC(=O)C1CSC(C2CCCCC2)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H29ClN2O3S/c1-27-13-5-12-23-19(25)18-14-28-21(16-6-3-2-4-7-16)24(18)20(26)15-8-10-17(22)11-9-15/h8-11,16,18,21H,2-7,12-14H2,1H3,(H,23,25)
InChIKeyCFXXUIZIKIUTNJ-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.99
LogP ≤ 53.96
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-(4-chlorobenzoyl)-2-cyclohexyl-N-cyclopropyl-1,3-thiazolidine-4-carboxamide
CID 42744142
(2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7355982
butyl 3-(4-chlorobenzoyl)-2-cyclohexyl-1,3-thiazolidine-4-carboxylate
CID 42729805
3-(4-chlorobenzoyl)-2-cyclohexyl-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744137
2-cyclohexyl-3-(4-methylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744153
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide
CID 42745149
N-(3-aminopropyl)-1-(4-chlorobenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide;hydrochloride
CID 119408430
1-(4-chlorobenzoyl)-N-[2-(methylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 119503753
2-cyclohexyl-3-(4-methylbenzoyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 3334688
N-butyl-3-(4-chlorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748224
(2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 7216276
(2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 1198786

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide (CID 42744147) is 3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide is COCCCNC(=O)C1CSC(C2CCCCC2)N1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is CFXXUIZIKIUTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O3S/c1-27-13-5-12-23-19(25)18-14-28-21(16-6-3-2-4-7-16)24(18)20(26)15-8-10-17(22)11-9-15/h8-11,16,18,21H,2-7,12-14H2,1H3,(H,23,25).
What are the key properties of 3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide?
3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 424.99 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).