(2R,4R)-N-butyl-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide

C17H23ClN2O3S — CID 7419657

IUPAC(2R,4R)-N-butyl-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCCNC(=O)[C@@H]1CS[C@H](c2ccccc2Cl)N1C(=O)COC
InChIInChI=1S/C17H23ClN2O3S/c1-3-4-9-19-16(22)14-11-24-17(20(14)15(21)10-23-2)12-7-5-6-8-13(12)18/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,19,22)/t14-,17+/m0/s1
InChIKeyNSESGHKEPAGOGT-WMLDXEAASA-N
MW370.90 g/mol
LogP2.85
Rot. Bonds7

About (2R,4R)-N-butyl-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide

(2R,4R)-N-butyl-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 7419657) has the molecular formula C17H23ClN2O3S and a molecular weight of 370.90 g/mol. Its IUPAC name is (2R,4R)-N-butyl-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-butyl-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide
PubChem CID7419657
Molecular FormulaC17H23ClN2O3S
Molecular Weight370.90 g/mol
Exact Mass370.11
IUPAC Name(2R,4R)-N-butyl-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCCNC(=O)[C@@H]1CS[C@H](c2ccccc2Cl)N1C(=O)COC
InChIInChI=1S/C17H23ClN2O3S/c1-3-4-9-19-16(22)14-11-24-17(20(14)15(21)10-23-2)12-7-5-6-8-13(12)18/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,19,22)/t14-,17+/m0/s1
InChIKeyNSESGHKEPAGOGT-WMLDXEAASA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 52.85
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

(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
propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate
CID 7439910
(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 7498305
propan-2-yl (2R,4S)-2-(2-chlorophenyl)-3-heptanoyl-1,3-thiazolidine-4-carboxylate
CID 7482440
propan-2-yl (2S,4R)-2-(2-chlorophenyl)-3-heptanoyl-1,3-thiazolidine-4-carboxylate
CID 7482437
N-butyl-2-(3,4-dimethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 5002325
(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 7288424
(2R,4R)-2-(2-chlorophenyl)-3-(2-methylpropanoyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 7414492
butyl 2-(2-chlorophenyl)-3-(3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylate
CID 4552881
(2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
CID 34421867
(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 7356695

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-butyl-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2R,4R)-N-butyl-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide (CID 7419657) is (2R,4R)-N-butyl-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2R,4R)-N-butyl-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2R,4R)-N-butyl-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide is CCCCNC(=O)[C@@H]1CS[C@H](c2ccccc2Cl)N1C(=O)COC.
What is the InChIKey of (2R,4R)-N-butyl-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is NSESGHKEPAGOGT-WMLDXEAASA-N. The full InChI is InChI=1S/C17H23ClN2O3S/c1-3-4-9-19-16(22)14-11-24-17(20(14)15(21)10-23-2)12-7-5-6-8-13(12)18/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,19,22)/t14-,17+/m0/s1.
What are the key properties of (2R,4R)-N-butyl-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide?
(2R,4R)-N-butyl-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 370.90 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-butyl-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 7419657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).