(4R)-3-benzoyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide

C22H25N3O5S2 — CID 55941234

IUPAC(4R)-3-benzoyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C22H25N3O5S2/c1-16-7-8-18(32(28,29)24-9-11-30-12-10-24)13-19(16)23-21(26)20-14-31-15-25(20)22(27)17-5-3-2-4-6-17/h2-8,13,20H,9-12,14-15H2,1H3,(H,23,26)/t20-/m0/s1
InChIKeyLKEKOWFNKZGLTQ-FQEVSTJZSA-N
MW475.59 g/mol
LogP2.17
Rot. Bonds5

About (4R)-3-benzoyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide

(4R)-3-benzoyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 55941234) has the molecular formula C22H25N3O5S2 and a molecular weight of 475.59 g/mol. Its IUPAC name is (4R)-3-benzoyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-benzoyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID55941234
Molecular FormulaC22H25N3O5S2
Molecular Weight475.59 g/mol
Exact Mass475.12
IUPAC Name(4R)-3-benzoyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C22H25N3O5S2/c1-16-7-8-18(32(28,29)24-9-11-30-12-10-24)13-19(16)23-21(26)20-14-31-15-25(20)22(27)17-5-3-2-4-6-17/h2-8,13,20H,9-12,14-15H2,1H3,(H,23,26)/t20-/m0/s1
InChIKeyLKEKOWFNKZGLTQ-FQEVSTJZSA-N
XLogP2.17
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-3-benzoyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 55942505
(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97310871
7a-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 55329531
(4R)-3-benzoyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 55940328
(4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide
CID 55940652
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
CID 55329459
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
(4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 809655
(4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 52716357
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55509767
2-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-6-phenylpyridine-3-carboxamide
CID 24529088
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 7818357

Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzoyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-benzoyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide (CID 55941234) is (4R)-3-benzoyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-benzoyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-benzoyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1.
What is the InChIKey of (4R)-3-benzoyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is LKEKOWFNKZGLTQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N3O5S2/c1-16-7-8-18(32(28,29)24-9-11-30-12-10-24)13-19(16)23-21(26)20-14-31-15-25(20)22(27)17-5-3-2-4-6-17/h2-8,13,20H,9-12,14-15H2,1H3,(H,23,26)/t20-/m0/s1.
What are the key properties of (4R)-3-benzoyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide?
(4R)-3-benzoyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzoyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55941234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).