(2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine

C23H23NO3S2 — CID 1038354

IUPAC(2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc3c4c(cccc24)CC3)cc1
InChIInChI=1S/C23H23NO3S2/c1-2-27-18-9-11-19(12-10-18)29(25,26)24-14-15-28-23(24)21-13-8-17-7-6-16-4-3-5-20(21)22(16)17/h3-5,8-13,23H,2,6-7,14-15H2,1H3/t23-/m0/s1
InChIKeyOAVMWJUDOSWMOO-QHCPKHFHSA-N
MW425.58 g/mol
LogP4.77
Rot. Bonds5

About (2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine

(2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 1038354) has the molecular formula C23H23NO3S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is (2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name(2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
PubChem CID1038354
Molecular FormulaC23H23NO3S2
Molecular Weight425.58 g/mol
Exact Mass425.11
IUPAC Name(2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc3c4c(cccc24)CC3)cc1
InChIInChI=1S/C23H23NO3S2/c1-2-27-18-9-11-19(12-10-18)29(25,26)24-14-15-28-23(24)21-13-8-17-7-6-16-4-3-5-20(21)22(16)17/h3-5,8-13,23H,2,6-7,14-15H2,1H3/t23-/m0/s1
InChIKeyOAVMWJUDOSWMOO-QHCPKHFHSA-N
XLogP4.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 2876838
(2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 1118464
(2S)-2-(5,6-dihydro-4H-phenalen-1-yl)-3-methylsulfonyl-1,3-thiazolidine
CID 949906
(2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1354636
3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
CID 3266105
(2S)-3-(4-butoxyphenyl)sulfonyl-2-(2-chlorophenyl)-1,3-thiazolidine
CID 7157484
(2R)-2-(3-bromo-4-methoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1254845
(2R)-3-(4-butoxyphenyl)sulfonyl-2-(3-chlorophenyl)-1,3-thiazolidine
CID 40548155
2-(4-chlorophenyl)-3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-1,3-thiazolidine
CID 45076728
3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
CID 4122599
[4-(4-ethoxyphenyl)sulfonylthiomorpholin-3-yl]methanol
CID 75443923
(2R)-2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1143496

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of (2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine (CID 1038354) is (2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for (2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for (2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine is CCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc3c4c(cccc24)CC3)cc1.
What is the InChIKey of (2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is OAVMWJUDOSWMOO-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H23NO3S2/c1-2-27-18-9-11-19(12-10-18)29(25,26)24-14-15-28-23(24)21-13-8-17-7-6-16-4-3-5-20(21)22(16)17/h3-5,8-13,23H,2,6-7,14-15H2,1H3/t23-/m0/s1.
What are the key properties of (2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine?
(2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 425.58 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 1038354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).