N-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide

C18H20N2O3S2 — CID 1084396

IUPACN-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O3S2/c1-13-3-5-15(6-4-13)18-20(11-12-24-18)25(22,23)17-9-7-16(8-10-17)19-14(2)21/h3-10,18H,11-12H2,1-2H3,(H,19,21)/t18-/m1/s1
InChIKeyDLXSTEDPCGWODW-GOSISDBHSA-N
MW376.50 g/mol
LogP3.39
Rot. Bonds4

About N-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide

N-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide (PubChem CID 1084396) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
PubChem CID1084396
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC NameN-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O3S2/c1-13-3-5-15(6-4-13)18-20(11-12-24-18)25(22,23)17-9-7-16(8-10-17)19-14(2)21/h3-10,18H,11-12H2,1-2H3,(H,19,21)/t18-/m1/s1
InChIKeyDLXSTEDPCGWODW-GOSISDBHSA-N
XLogP3.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 654431
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2847064
(2R)-2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1041495
N-[4-[[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 1026068
2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2858670
N-[4-[[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 1084397
(2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1111409
2-methyl-4-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-1,3-oxazole
CID 122330537
N-[4-[[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 3531101
(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8701358
(2S)-2-(3-bromo-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1111374
(2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 852148

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide (CID 1084396) is N-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide?
The InChIKey is DLXSTEDPCGWODW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-13-3-5-15(6-4-13)18-20(11-12-24-18)25(22,23)17-9-7-16(8-10-17)19-14(2)21/h3-10,18H,11-12H2,1-2H3,(H,19,21)/t18-/m1/s1.
What are the key properties of N-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide?
N-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide has a molecular weight of 376.50 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide is sourced from PubChem (CID 1084396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).