N-(3,4-dimethylphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide

C23H27N3O3S2 — CID 23603810

IUPACN-(3,4-dimethylphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide
SMILESCc1ccc(NC(=O)CN(C2=NC3CS(=O)(=O)CC3S2)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C23H27N3O3S2/c1-14-5-7-18(9-16(14)3)24-22(27)11-26(19-8-6-15(2)17(4)10-19)23-25-20-12-31(28,29)13-21(20)30-23/h5-10,20-21H,11-13H2,1-4H3,(H,24,27)
InChIKeyNUEYLTJRGCWHBA-UHFFFAOYSA-N
MW457.62 g/mol
LogP3.63
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide

N-(3,4-dimethylphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide (PubChem CID 23603810) has the molecular formula C23H27N3O3S2 and a molecular weight of 457.62 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide
PubChem CID23603810
Molecular FormulaC23H27N3O3S2
Molecular Weight457.62 g/mol
Exact Mass457.15
IUPAC NameN-(3,4-dimethylphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide
SMILESCc1ccc(NC(=O)CN(C2=NC3CS(=O)(=O)CC3S2)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C23H27N3O3S2/c1-14-5-7-18(9-16(14)3)24-22(27)11-26(19-8-6-15(2)17(4)10-19)23-25-20-12-31(28,29)13-21(20)30-23/h5-10,20-21H,11-13H2,1-4H3,(H,24,27)
InChIKeyNUEYLTJRGCWHBA-UHFFFAOYSA-N
XLogP3.63
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4-dimethylphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide (CID 23603810) is N-(3,4-dimethylphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide is Cc1ccc(NC(=O)CN(C2=NC3CS(=O)(=O)CC3S2)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide?
The InChIKey is NUEYLTJRGCWHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S2/c1-14-5-7-18(9-16(14)3)24-22(27)11-26(19-8-6-15(2)17(4)10-19)23-25-20-12-31(28,29)13-21(20)30-23/h5-10,20-21H,11-13H2,1-4H3,(H,24,27).
What are the key properties of N-(3,4-dimethylphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide?
N-(3,4-dimethylphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide has a molecular weight of 457.62 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,4-dimethylanilino)acetamide is sourced from PubChem (CID 23603810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).