N-[1-phenyl-3-(2-phenylethylamino)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide

C33H35N3O3S2 — CID 10289920

IUPACN-[1-phenyl-3-(2-phenylethylamino)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
SMILESO=C(NC(CCNCCc1ccccc1)c1ccccc1)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H35N3O3S2/c37-32(35-31(29-14-8-3-9-15-29)21-23-34-22-20-26-10-4-1-5-11-26)33-36(24-25-40-33)41(38,39)30-18-16-28(17-19-30)27-12-6-2-7-13-27/h1-19,31,33-34H,20-25H2,(H,35,37)
InChIKeyQYKJIRWDHJUYQI-UHFFFAOYSA-N
MW585.80 g/mol
LogP5.50
Rot. Bonds12

About N-[1-phenyl-3-(2-phenylethylamino)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide

N-[1-phenyl-3-(2-phenylethylamino)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide (PubChem CID 10289920) has the molecular formula C33H35N3O3S2 and a molecular weight of 585.80 g/mol. Its IUPAC name is N-[1-phenyl-3-(2-phenylethylamino)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-phenyl-3-(2-phenylethylamino)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
PubChem CID10289920
Molecular FormulaC33H35N3O3S2
Molecular Weight585.80 g/mol
Exact Mass585.21
IUPAC NameN-[1-phenyl-3-(2-phenylethylamino)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
SMILESO=C(NC(CCNCCc1ccccc1)c1ccccc1)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H35N3O3S2/c37-32(35-31(29-14-8-3-9-15-29)21-23-34-22-20-26-10-4-1-5-11-26)33-36(24-25-40-33)41(38,39)30-18-16-28(17-19-30)27-12-6-2-7-13-27/h1-19,31,33-34H,20-25H2,(H,35,37)
InChIKeyQYKJIRWDHJUYQI-UHFFFAOYSA-N
XLogP5.50
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.80
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[1-phenyl-3-(2-phenylethylamino)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide 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

N-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 68622983
N-[3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 68621901
(2S)-N-[(1S)-1-(4-fluorophenyl)-3-hydroxypropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 10217804
N-[3-chloro-1-(4-fluorophenyl)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 155601125
(2S)-3-[4-(2-fluorophenyl)phenyl]sulfonyl-N-[(1S)-3-hydroxy-1-phenylpropyl]-1,3-thiazolidine-2-carboxamide
CID 10289129
[(3S)-3-(4-fluorophenyl)-3-[[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carbonyl]amino]propyl] 2-amino-3-methylbutanoate
CID 170274058
(2S)-N-[(1S)-1-(2,4-difluorophenyl)-3-hydroxypropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 10289374
N-[1-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 68622008
N-[(6-chloro-3-pyridinyl)-phenylmethyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen
CID 167695455
1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone
CID 146615097
[(3S)-3-[[(2S)-3-(4-ethenylphenyl)sulfonyl-1,3-thiazolidine-2-carbonyl]amino]-3-phenylpropyl] (2S)-2-amino-3-methylbutanoate
CID 68622984
(2S)-N-[(1R,2Z,4Z)-2-(methylideneamino)-1-phenylhexa-2,4-dienyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 88999303

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-3-(2-phenylethylamino)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
The IUPAC name of N-[1-phenyl-3-(2-phenylethylamino)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide (CID 10289920) is N-[1-phenyl-3-(2-phenylethylamino)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide.
What is the SMILES notation for N-[1-phenyl-3-(2-phenylethylamino)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
The canonical SMILES for N-[1-phenyl-3-(2-phenylethylamino)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide is O=C(NC(CCNCCc1ccccc1)c1ccccc1)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[1-phenyl-3-(2-phenylethylamino)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
The InChIKey is QYKJIRWDHJUYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O3S2/c37-32(35-31(29-14-8-3-9-15-29)21-23-34-22-20-26-10-4-1-5-11-26)33-36(24-25-40-33)41(38,39)30-18-16-28(17-19-30)27-12-6-2-7-13-27/h1-19,31,33-34H,20-25H2,(H,35,37).
What are the key properties of N-[1-phenyl-3-(2-phenylethylamino)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
N-[1-phenyl-3-(2-phenylethylamino)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide has a molecular weight of 585.80 g/mol, XLogP of 5.50, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-3-(2-phenylethylamino)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide is sourced from PubChem (CID 10289920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).