N-(2-methylphenyl)-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide

C19H18N2O3S — CID 27266587

IUPACN-(2-methylphenyl)-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
SMILESCC(=O)N(c1ccccc1C)[C@H]1SC(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C19H18N2O3S/c1-12-8-10-15(11-9-12)21-17(23)18(25-19(21)24)20(14(3)22)16-7-5-4-6-13(16)2/h4-11,18H,1-3H3/t18-/m0/s1
InChIKeyCVQJQMQKLACUIS-SFHVURJKSA-N
MW354.43 g/mol
LogP3.88
Rot. Bonds3

About N-(2-methylphenyl)-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide

N-(2-methylphenyl)-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 27266587) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID27266587
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-(2-methylphenyl)-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
SMILESCC(=O)N(c1ccccc1C)[C@H]1SC(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C19H18N2O3S/c1-12-8-10-15(11-9-12)21-17(23)18(25-19(21)24)20(14(3)22)16-7-5-4-6-13(16)2/h4-11,18H,1-3H3/t18-/m0/s1
InChIKeyCVQJQMQKLACUIS-SFHVURJKSA-N
XLogP3.88
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2-methylphenyl)-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide (CID 27266587) is N-(2-methylphenyl)-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide is CC(=O)N(c1ccccc1C)[C@H]1SC(=O)N(c2ccc(C)cc2)C1=O.
What is the InChIKey of N-(2-methylphenyl)-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is CVQJQMQKLACUIS-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-12-8-10-15(11-9-12)21-17(23)18(25-19(21)24)20(14(3)22)16-7-5-4-6-13(16)2/h4-11,18H,1-3H3/t18-/m0/s1.
What are the key properties of N-(2-methylphenyl)-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide?
N-(2-methylphenyl)-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 354.43 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N-[(5S)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 27266587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).