(4R)-N-(4-cyanophenyl)-3-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide

C24H26N4O4S2 — CID 95154199

IUPAC(4R)-N-(4-cyanophenyl)-3-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H26N4O4S2/c1-3-27(4-2)34(31,32)21-12-7-18(8-13-21)9-14-23(29)28-17-33-16-22(28)24(30)26-20-10-5-19(15-25)6-11-20/h5-14,22H,3-4,16-17H2,1-2H3,(H,26,30)/b14-9+/t22-/m0/s1
InChIKeyXFRDMMGQUGAJNX-UNJYKCMZSA-N
MW498.63 g/mol
LogP3.14
Rot. Bonds8

About (4R)-N-(4-cyanophenyl)-3-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide

(4R)-N-(4-cyanophenyl)-3-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 95154199) has the molecular formula C24H26N4O4S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is (4R)-N-(4-cyanophenyl)-3-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(4-cyanophenyl)-3-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
PubChem CID95154199
Molecular FormulaC24H26N4O4S2
Molecular Weight498.63 g/mol
Exact Mass498.14
IUPAC Name(4R)-N-(4-cyanophenyl)-3-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H26N4O4S2/c1-3-27(4-2)34(31,32)21-12-7-18(8-13-21)9-14-23(29)28-17-33-16-22(28)24(30)26-20-10-5-19(15-25)6-11-20/h5-14,22H,3-4,16-17H2,1-2H3,(H,26,30)/b14-9+/t22-/m0/s1
InChIKeyXFRDMMGQUGAJNX-UNJYKCMZSA-N
XLogP3.14
TPSA110.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55942502
(4S)-N-(4-cyanophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide
CID 95308769
(4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide
CID 95156736
(4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide
CID 95158933
N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 71904739
(4R)-N-(4-cyanophenyl)-3-[2-[(2S)-oxolan-2-yl]acetyl]-1,3-thiazolidine-4-carboxamide
CID 95327247
N-butan-2-yl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 60609283
trans-(1R,2R)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 2112181
trans-(1S,2S)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 2112182
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24640586
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1314257
3-(2-chloro-5-nitrobenzoyl)-N-(4-cyanophenyl)-1,3-thiazolidine-4-carboxamide
CID 56530411

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(4-cyanophenyl)-3-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-(4-cyanophenyl)-3-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide (CID 95154199) is (4R)-N-(4-cyanophenyl)-3-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(4-cyanophenyl)-3-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-(4-cyanophenyl)-3-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of (4R)-N-(4-cyanophenyl)-3-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is XFRDMMGQUGAJNX-UNJYKCMZSA-N. The full InChI is InChI=1S/C24H26N4O4S2/c1-3-27(4-2)34(31,32)21-12-7-18(8-13-21)9-14-23(29)28-17-33-16-22(28)24(30)26-20-10-5-19(15-25)6-11-20/h5-14,22H,3-4,16-17H2,1-2H3,(H,26,30)/b14-9+/t22-/m0/s1.
What are the key properties of (4R)-N-(4-cyanophenyl)-3-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide?
(4R)-N-(4-cyanophenyl)-3-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 498.63 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(4-cyanophenyl)-3-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95154199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).