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

C22H26FN3O4S — CID 31960352

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C22H26FN3O4S/c23-19-6-2-17(3-7-19)21(25-11-13-30-14-12-25)16-24-22(27)18-4-8-20(9-5-18)26-10-1-15-31(26,28)29/h2-9,21H,1,10-16H2,(H,24,27)/t21-/m0/s1
InChIKeyBBOSGGIKBLZPSS-NRFANRHFSA-N
MW447.53 g/mol
LogP2.17
Rot. Bonds6

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

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 31960352) has the molecular formula C22H26FN3O4S and a molecular weight of 447.53 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
PubChem CID31960352
Molecular FormulaC22H26FN3O4S
Molecular Weight447.53 g/mol
Exact Mass447.16
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C22H26FN3O4S/c23-19-6-2-17(3-7-19)21(25-11-13-30-14-12-25)16-24-22(27)18-4-8-20(9-5-18)26-10-1-15-31(26,28)29/h2-9,21H,1,10-16H2,(H,24,27)/t21-/m0/s1
InChIKeyBBOSGGIKBLZPSS-NRFANRHFSA-N
XLogP2.17
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.53
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 8008909
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40860018
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzamide
CID 43003559
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 18589031
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 30834711
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 30878238
4-tert-butyl-N-[3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 27810065
tert-butyl N-[[4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]methyl]carbamate
CID 24546172
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide (CID 31960352) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide is O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is BBOSGGIKBLZPSS-NRFANRHFSA-N. The full InChI is InChI=1S/C22H26FN3O4S/c23-19-6-2-17(3-7-19)21(25-11-13-30-14-12-25)16-24-22(27)18-4-8-20(9-5-18)26-10-1-15-31(26,28)29/h2-9,21H,1,10-16H2,(H,24,27)/t21-/m0/s1.
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 447.53 g/mol, XLogP of 2.17, 6 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-fluorophenyl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 31960352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).