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

C18H25ClN2O3S — CID 7232108

IUPAC(2R,4R)-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCNC(=O)[C@@H]1CS[C@H](c2ccccc2Cl)N1C(=O)COC
InChIInChI=1S/C18H25ClN2O3S/c1-3-4-7-10-20-17(23)15-12-25-18(21(15)16(22)11-24-2)13-8-5-6-9-14(13)19/h5-6,8-9,15,18H,3-4,7,10-12H2,1-2H3,(H,20,23)/t15-,18+/m0/s1
InChIKeySUPOFZPABMJORZ-MAUKXSAKSA-N
MW384.93 g/mol
LogP3.24
Rot. Bonds8

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

(2R,4R)-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-pentyl-1,3-thiazolidine-4-carboxamide (PubChem CID 7232108) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is (2R,4R)-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-pentyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2R,4R)-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
PubChem CID7232108
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC Name(2R,4R)-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCNC(=O)[C@@H]1CS[C@H](c2ccccc2Cl)N1C(=O)COC
InChIInChI=1S/C18H25ClN2O3S/c1-3-4-7-10-20-17(23)15-12-25-18(21(15)16(22)11-24-2)13-8-5-6-9-14(13)19/h5-6,8-9,15,18H,3-4,7,10-12H2,1-2H3,(H,20,23)/t15-,18+/m0/s1
InChIKeySUPOFZPABMJORZ-MAUKXSAKSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 53.24
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)-N-butyl-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide
CID 7419657
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
propan-2-yl (2S,4R)-2-(2-chlorophenyl)-3-heptanoyl-1,3-thiazolidine-4-carboxylate
CID 7482437
propan-2-yl (2R,4S)-2-(2-chlorophenyl)-3-heptanoyl-1,3-thiazolidine-4-carboxylate
CID 7482440
(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 7356695
(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 7498305
(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
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

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-pentyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2R,4R)-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-pentyl-1,3-thiazolidine-4-carboxamide (CID 7232108) is (2R,4R)-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-pentyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2R,4R)-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-pentyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2R,4R)-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-pentyl-1,3-thiazolidine-4-carboxamide is CCCCCNC(=O)[C@@H]1CS[C@H](c2ccccc2Cl)N1C(=O)COC.
What is the InChIKey of (2R,4R)-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-pentyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is SUPOFZPABMJORZ-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H25ClN2O3S/c1-3-4-7-10-20-17(23)15-12-25-18(21(15)16(22)11-24-2)13-8-5-6-9-14(13)19/h5-6,8-9,15,18H,3-4,7,10-12H2,1-2H3,(H,20,23)/t15-,18+/m0/s1.
What are the key properties of (2R,4R)-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-pentyl-1,3-thiazolidine-4-carboxamide?
(2R,4R)-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-pentyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 384.93 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-pentyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 7232108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).