N-[(2,6-difluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen

C23H22F2N2O3S2 — CID 167553021

IUPACN-[(2,6-difluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen
SMILESO=C(NCc1c(F)cccc1F)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.[H][H]
InChIInChI=1S/C23H20F2N2O3S2.H2/c24-20-7-4-8-21(25)19(20)15-26-22(28)23-27(13-14-31-23)32(29,30)18-11-9-17(10-12-18)16-5-2-1-3-6-16;/h1-12,23H,13-15H2,(H,26,28);1H
InChIKeyCQRMHLLEOCFLOU-UHFFFAOYSA-N
MW476.57 g/mol
LogP4.26
Rot. Bonds6

About N-[(2,6-difluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen

N-[(2,6-difluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen (PubChem CID 167553021) has the molecular formula C23H22F2N2O3S2 and a molecular weight of 476.57 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen
PubChem CID167553021
Molecular FormulaC23H22F2N2O3S2
Molecular Weight476.57 g/mol
Exact Mass476.10
IUPAC NameN-[(2,6-difluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen
SMILESO=C(NCc1c(F)cccc1F)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.[H][H]
InChIInChI=1S/C23H20F2N2O3S2.H2/c24-20-7-4-8-21(25)19(20)15-26-22(28)23-27(13-14-31-23)32(29,30)18-11-9-17(10-12-18)16-5-2-1-3-6-16;/h1-12,23H,13-15H2,(H,26,28);1H
InChIKeyCQRMHLLEOCFLOU-UHFFFAOYSA-N
XLogP4.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 68621358
N-[(2-methoxyphenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 10217272
1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone
CID 146615097
(2S)-N-[(1S)-1-(4-fluorophenyl)-3-hydroxypropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 10217804
(2S)-N-[(1S)-1-(2,4-difluorophenyl)-3-hydroxypropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 10289374
N-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 68622983
(2S)-3-[4-(2-fluorophenyl)phenyl]sulfonyl-N-[(1S)-3-hydroxy-1-phenylpropyl]-1,3-thiazolidine-2-carboxamide
CID 10289129
N-[3-chloro-1-(4-fluorophenyl)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 155601125
N-[(6-chloro-3-pyridinyl)-phenylmethyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen
CID 167695455
N-[1-phenyl-3-(2-phenylethylamino)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 10289920
4-oxo-2-phenyl-4-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]butanamide
CID 167544763
3-(4-fluorophenyl)-5-hydroxy-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentan-1-one
CID 167542891

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen (CID 167553021) is N-[(2,6-difluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen is O=C(NCc1c(F)cccc1F)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.[H][H].
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen?
The InChIKey is CQRMHLLEOCFLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O3S2.H2/c24-20-7-4-8-21(25)19(20)15-26-22(28)23-27(13-14-31-23)32(29,30)18-11-9-17(10-12-18)16-5-2-1-3-6-16;/h1-12,23H,13-15H2,(H,26,28);1H.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen?
N-[(2,6-difluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen has a molecular weight of 476.57 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 167553021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).