3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)propanamide

C23H27N3O5S2 — CID 24505987

IUPAC3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCN1CCSC1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1
InChIInChI=1S/C23H27N3O5S2/c27-22(11-14-25-15-16-32-23(25)28)24-20-17-19(33(29,30)26-12-5-2-6-13-26)9-10-21(20)31-18-7-3-1-4-8-18/h1,3-4,7-10,17H,2,5-6,11-16H2,(H,24,27)
InChIKeyCRPNVIUZNPWTIZ-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.15
Rot. Bonds8

About 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)propanamide

3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 24505987) has the molecular formula C23H27N3O5S2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID24505987
Molecular FormulaC23H27N3O5S2
Molecular Weight489.62 g/mol
Exact Mass489.14
IUPAC Name3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCN1CCSC1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1
InChIInChI=1S/C23H27N3O5S2/c27-22(11-14-25-15-16-32-23(25)28)24-20-17-19(33(29,30)26-12-5-2-6-13-26)9-10-21(20)31-18-7-3-1-4-8-18/h1,3-4,7-10,17H,2,5-6,11-16H2,(H,24,27)
InChIKeyCRPNVIUZNPWTIZ-UHFFFAOYSA-N
XLogP4.15
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide
CID 4813371
2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 46511334
3-(benzenesulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 24636057
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide
CID 33297350
N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 24505901
N-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide
CID 4831895
N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093399
3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 26775491
N-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide
CID 24510864
4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 4844189
3-ethyl-5-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 55364062
4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 38000923

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)propanamide (CID 24505987) is 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)propanamide is O=C(CCN1CCSC1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1.
What is the InChIKey of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is CRPNVIUZNPWTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S2/c27-22(11-14-25-15-16-32-23(25)28)24-20-17-19(33(29,30)26-12-5-2-6-13-26)9-10-21(20)31-18-7-3-1-4-8-18/h1,3-4,7-10,17H,2,5-6,11-16H2,(H,24,27).
What are the key properties of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 489.62 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 24505987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).