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

C18H20N2O3S2 — CID 645703

IUPACN-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCSC2c2ccc(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)
InChIKeyDLXSTEDPCGWODW-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.39
Rot. Bonds4

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

N-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide (PubChem CID 645703) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
PubChem CID645703
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC NameN-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCSC2c2ccc(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)
InChIKeyDLXSTEDPCGWODW-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide (CID 645703) is N-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCSC2c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide?
The InChIKey is DLXSTEDPCGWODW-UHFFFAOYSA-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).
What are the key properties of N-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide?
N-[4-[[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-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide is sourced from PubChem (CID 645703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).