(2-oxo-2-phenothiazin-10-ylethyl) (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

C27H24N2O4S — CID 2536904

IUPAC(2-oxo-2-phenothiazin-10-ylethyl) (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccccc1N1C[C@@H](C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)CC1=O
InChIInChI=1S/C27H24N2O4S/c1-2-18-9-3-4-10-20(18)28-16-19(15-25(28)30)27(32)33-17-26(31)29-21-11-5-7-13-23(21)34-24-14-8-6-12-22(24)29/h3-14,19H,2,15-17H2,1H3/t19-/m0/s1
InChIKeyWERCFMWLQKWGQV-IBGZPJMESA-N
MW472.57 g/mol
LogP4.97
Rot. Bonds5

About (2-oxo-2-phenothiazin-10-ylethyl) (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

(2-oxo-2-phenothiazin-10-ylethyl) (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 2536904) has the molecular formula C27H24N2O4S and a molecular weight of 472.57 g/mol. Its IUPAC name is (2-oxo-2-phenothiazin-10-ylethyl) (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-phenothiazin-10-ylethyl) (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID2536904
Molecular FormulaC27H24N2O4S
Molecular Weight472.57 g/mol
Exact Mass472.15
IUPAC Name(2-oxo-2-phenothiazin-10-ylethyl) (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccccc1N1C[C@@H](C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)CC1=O
InChIInChI=1S/C27H24N2O4S/c1-2-18-9-3-4-10-20(18)28-16-19(15-25(28)30)27(32)33-17-26(31)29-21-11-5-7-13-23(21)34-24-14-8-6-12-22(24)29/h3-14,19H,2,15-17H2,1H3/t19-/m0/s1
InChIKeyWERCFMWLQKWGQV-IBGZPJMESA-N
XLogP4.97
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-oxo-2-phenothiazin-10-ylethyl) (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(methylamino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7798822
[2-(4-methylphenyl)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 41137111
(2,6-dichlorophenyl)methyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466508
[2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466582
[2-(2-methylpropylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466383
[2-(2-methylanilino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466529
[2-(cycloheptylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466578
(4-methylphenyl)methyl (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466348
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7798726
[2-(4-fluoroanilino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466545
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7799027
[2-(4-methoxycarbonylanilino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 42016901

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 2536904) is (2-oxo-2-phenothiazin-10-ylethyl) (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (2-oxo-2-phenothiazin-10-ylethyl) (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (2-oxo-2-phenothiazin-10-ylethyl) (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)CC1=O.
What is the InChIKey of (2-oxo-2-phenothiazin-10-ylethyl) (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is WERCFMWLQKWGQV-IBGZPJMESA-N. The full InChI is InChI=1S/C27H24N2O4S/c1-2-18-9-3-4-10-20(18)28-16-19(15-25(28)30)27(32)33-17-26(31)29-21-11-5-7-13-23(21)34-24-14-8-6-12-22(24)29/h3-14,19H,2,15-17H2,1H3/t19-/m0/s1.
What are the key properties of (2-oxo-2-phenothiazin-10-ylethyl) (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
(2-oxo-2-phenothiazin-10-ylethyl) (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 472.57 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-phenothiazin-10-ylethyl) (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 2536904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).