(4S)-3-(4-chlorobenzoyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-thiazolidine-4-carboxamide

C19H23ClN2O5S — CID 97338589

IUPAC(4S)-3-(4-chlorobenzoyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC[C@@H]1COC2(CCOCC2)O1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O5S/c20-14-3-1-13(2-4-14)18(24)22-12-28-11-16(22)17(23)21-9-15-10-26-19(27-15)5-7-25-8-6-19/h1-4,15-16H,5-12H2,(H,21,23)/t15-,16-/m1/s1
InChIKeyLBHFFRPBLHQUEC-HZPDHXFCSA-N
MW426.92 g/mol
LogP1.89
Rot. Bonds4

About (4S)-3-(4-chlorobenzoyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-(4-chlorobenzoyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 97338589) has the molecular formula C19H23ClN2O5S and a molecular weight of 426.92 g/mol. Its IUPAC name is (4S)-3-(4-chlorobenzoyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(4-chlorobenzoyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID97338589
Molecular FormulaC19H23ClN2O5S
Molecular Weight426.92 g/mol
Exact Mass426.10
IUPAC Name(4S)-3-(4-chlorobenzoyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC[C@@H]1COC2(CCOCC2)O1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O5S/c20-14-3-1-13(2-4-14)18(24)22-12-28-11-16(22)17(23)21-9-15-10-26-19(27-15)5-7-25-8-6-19/h1-4,15-16H,5-12H2,(H,21,23)/t15-,16-/m1/s1
InChIKeyLBHFFRPBLHQUEC-HZPDHXFCSA-N
XLogP1.89
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-3-(4-chlorobenzoyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

3-(4-chlorobenzoyl)-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 75446900
methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate
CID 95297675
N-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119407342
N-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 119642205
3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119507547
4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide
CID 18583938
3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744790
(4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 809655
2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide
CID 18583785
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid
CID 119172118
4-(thiophen-2-ylmethoxy)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]benzamide
CID 97338344

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-chlorobenzoyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(4-chlorobenzoyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-thiazolidine-4-carboxamide (CID 97338589) is (4S)-3-(4-chlorobenzoyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(4-chlorobenzoyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(4-chlorobenzoyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-thiazolidine-4-carboxamide is O=C(NC[C@@H]1COC2(CCOCC2)O1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4S)-3-(4-chlorobenzoyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is LBHFFRPBLHQUEC-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H23ClN2O5S/c20-14-3-1-13(2-4-14)18(24)22-12-28-11-16(22)17(23)21-9-15-10-26-19(27-15)5-7-25-8-6-19/h1-4,15-16H,5-12H2,(H,21,23)/t15-,16-/m1/s1.
What are the key properties of (4S)-3-(4-chlorobenzoyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-(4-chlorobenzoyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 426.92 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-chlorobenzoyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 97338589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).