4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

C23H29N3O4S — CID 40860018

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1ccc([C@H](CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)N2CCCC2)cc1
InChIInChI=1S/C23H29N3O4S/c1-30-21-11-7-18(8-12-21)22(25-13-2-3-14-25)17-24-23(27)19-5-9-20(10-6-19)26-15-4-16-31(26,28)29/h5-12,22H,2-4,13-17H2,1H3,(H,24,27)/t22-/m0/s1
InChIKeyPVALIBQTMCQQLG-QFIPXVFZSA-N
MW443.57 g/mol
LogP2.80
Rot. Bonds7

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 40860018) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID40860018
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1ccc([C@H](CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)N2CCCC2)cc1
InChIInChI=1S/C23H29N3O4S/c1-30-21-11-7-18(8-12-21)22(25-13-2-3-14-25)17-24-23(27)19-5-9-20(10-6-19)26-15-4-16-31(26,28)29/h5-12,22H,2-4,13-17H2,1H3,(H,24,27)/t22-/m0/s1
InChIKeyPVALIBQTMCQQLG-QFIPXVFZSA-N
XLogP2.80
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
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N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
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4-(dimethylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4827588
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 24547721
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CID 24646474
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 24544258
4-(1,3-dithiolan-2-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 26622606
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17014577
N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 30630679
N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (CID 40860018) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is COc1ccc([C@H](CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)N2CCCC2)cc1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is PVALIBQTMCQQLG-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-30-21-11-7-18(8-12-21)22(25-13-2-3-14-25)17-24-23(27)19-5-9-20(10-6-19)26-15-4-16-31(26,28)29/h5-12,22H,2-4,13-17H2,1H3,(H,24,27)/t22-/m0/s1.
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 443.57 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 40860018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).