N-[(2-methoxyphenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide

C24H24N2O4S2 — CID 10217272

IUPACN-[(2-methoxyphenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24N2O4S2/c1-30-22-10-6-5-9-20(22)17-25-23(27)24-26(15-16-31-24)32(28,29)21-13-11-19(12-14-21)18-7-3-2-4-8-18/h2-14,24H,15-17H2,1H3,(H,25,27)
InChIKeyAVEFCTGWUMWTEV-UHFFFAOYSA-N
MW468.60 g/mol
LogP3.74
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide

N-[(2-methoxyphenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide (PubChem CID 10217272) has the molecular formula C24H24N2O4S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
PubChem CID10217272
Molecular FormulaC24H24N2O4S2
Molecular Weight468.60 g/mol
Exact Mass468.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24N2O4S2/c1-30-22-10-6-5-9-20(22)17-25-23(27)24-26(15-16-31-24)32(28,29)21-13-11-19(12-14-21)18-7-3-2-4-8-18/h2-14,24H,15-17H2,1H3,(H,25,27)
InChIKeyAVEFCTGWUMWTEV-UHFFFAOYSA-N
XLogP3.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen
CID 167553021
1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone
CID 146615097
(2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 1362906
(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
N-[(2-methoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285534
N-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide
CID 91840853
N-[(2-methoxyphenyl)methyl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 1469325
(2S)-N-[(1S)-1-(2,4-difluorophenyl)-3-hydroxypropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 10289374
1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31287972
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
[(3S)-3-(4-fluorophenyl)-3-[[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carbonyl]amino]propyl] 2-amino-3-methylbutanoate
CID 170274058

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide (CID 10217272) is N-[(2-methoxyphenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide is COc1ccccc1CNC(=O)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
The InChIKey is AVEFCTGWUMWTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S2/c1-30-22-10-6-5-9-20(22)17-25-23(27)24-26(15-16-31-24)32(28,29)21-13-11-19(12-14-21)18-7-3-2-4-8-18/h2-14,24H,15-17H2,1H3,(H,25,27).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide is sourced from PubChem (CID 10217272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).