(2S)-N-(4-chlorophenyl)sulfonyl-2-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanamide

C31H23ClN2O4S3 — CID 118728684

IUPAC(2S)-N-(4-chlorophenyl)sulfonyl-2-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S
InChIInChI=1S/C31H23ClN2O4S3/c32-25-15-17-26(18-16-25)41(37,38)33-29(35)27(19-21-7-3-1-4-8-21)34-30(36)28(40-31(34)39)20-22-11-13-24(14-12-22)23-9-5-2-6-10-23/h1-18,20,27H,19H2,(H,33,35)/b28-20-/t27-/m0/s1
InChIKeyLSRSDYUCERXVEN-AOOQNHMPSA-N
MW619.19 g/mol
LogP6.32
Rot. Bonds8

About (2S)-N-(4-chlorophenyl)sulfonyl-2-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanamide

(2S)-N-(4-chlorophenyl)sulfonyl-2-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanamide (PubChem CID 118728684) has the molecular formula C31H23ClN2O4S3 and a molecular weight of 619.19 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)sulfonyl-2-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)sulfonyl-2-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanamide
PubChem CID118728684
Molecular FormulaC31H23ClN2O4S3
Molecular Weight619.19 g/mol
Exact Mass618.05
IUPAC Name(2S)-N-(4-chlorophenyl)sulfonyl-2-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S
InChIInChI=1S/C31H23ClN2O4S3/c32-25-15-17-26(18-16-25)41(37,38)33-29(35)27(19-21-7-3-1-4-8-21)34-30(36)28(40-31(34)39)20-22-11-13-24(14-12-22)23-9-5-2-6-10-23/h1-18,20,27H,19H2,(H,33,35)/b28-20-/t27-/m0/s1
InChIKeyLSRSDYUCERXVEN-AOOQNHMPSA-N
XLogP6.32
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.19
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (2S)-N-(4-chlorophenyl)sulfonyl-2-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)sulfonyl-2-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)sulfonyl-2-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanamide (CID 118728684) is (2S)-N-(4-chlorophenyl)sulfonyl-2-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)sulfonyl-2-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)sulfonyl-2-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S.
What is the InChIKey of (2S)-N-(4-chlorophenyl)sulfonyl-2-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanamide?
The InChIKey is LSRSDYUCERXVEN-AOOQNHMPSA-N. The full InChI is InChI=1S/C31H23ClN2O4S3/c32-25-15-17-26(18-16-25)41(37,38)33-29(35)27(19-21-7-3-1-4-8-21)34-30(36)28(40-31(34)39)20-22-11-13-24(14-12-22)23-9-5-2-6-10-23/h1-18,20,27H,19H2,(H,33,35)/b28-20-/t27-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)sulfonyl-2-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanamide?
(2S)-N-(4-chlorophenyl)sulfonyl-2-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanamide has a molecular weight of 619.19 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chlorophenyl)sulfonyl-2-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 118728684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).