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

C23H27N3O4S2 — CID 55942505

IUPAC(4R)-3-benzoyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C23H27N3O4S2/c1-17-10-11-19(32(29,30)25-12-6-3-7-13-25)14-20(17)24-22(27)21-15-31-16-26(21)23(28)18-8-4-2-5-9-18/h2,4-5,8-11,14,21H,3,6-7,12-13,15-16H2,1H3,(H,24,27)/t21-/m0/s1
InChIKeyOSZZIZYYIBUIJP-NRFANRHFSA-N
MW473.62 g/mol
LogP3.32
Rot. Bonds5

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

(4R)-3-benzoyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 55942505) has the molecular formula C23H27N3O4S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is (4R)-3-benzoyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-benzoyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID55942505
Molecular FormulaC23H27N3O4S2
Molecular Weight473.62 g/mol
Exact Mass473.14
IUPAC Name(4R)-3-benzoyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C23H27N3O4S2/c1-17-10-11-19(32(29,30)25-12-6-3-7-13-25)14-20(17)24-22(27)21-15-31-16-26(21)23(28)18-8-4-2-5-9-18/h2,4-5,8-11,14,21H,3,6-7,12-13,15-16H2,1H3,(H,24,27)/t21-/m0/s1
InChIKeyOSZZIZYYIBUIJP-NRFANRHFSA-N
XLogP3.32
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-3-benzoyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 55941234
(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97310871
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 18074440
(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
(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
[4-(benzenesulfonyl)piperazin-1-yl]-[(4R)-3-benzoyl-1,3-thiazolidin-4-yl]methanone
CID 55941492
3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 51330773
1-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea
CID 7943124
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 4849484
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide
CID 18284846

Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzoyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-benzoyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide (CID 55942505) is (4R)-3-benzoyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-benzoyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-benzoyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1.
What is the InChIKey of (4R)-3-benzoyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is OSZZIZYYIBUIJP-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27N3O4S2/c1-17-10-11-19(32(29,30)25-12-6-3-7-13-25)14-20(17)24-22(27)21-15-31-16-26(21)23(28)18-8-4-2-5-9-18/h2,4-5,8-11,14,21H,3,6-7,12-13,15-16H2,1H3,(H,24,27)/t21-/m0/s1.
What are the key properties of (4R)-3-benzoyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide?
(4R)-3-benzoyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzoyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55942505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).