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

C22H25N3O3S2 — CID 23603729

IUPAC2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-methylanilino)-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN(C2=NC3CS(=O)(=O)CC3S2)c2cccc(C)c2)c1
InChIInChI=1S/C22H25N3O3S2/c1-3-16-7-5-8-17(11-16)23-21(26)12-25(18-9-4-6-15(2)10-18)22-24-19-13-30(27,28)14-20(19)29-22/h4-11,19-20H,3,12-14H2,1-2H3,(H,23,26)
InChIKeyLMQDDPRYOBAMDC-UHFFFAOYSA-N
MW443.59 g/mol
LogP3.27
Rot. Bonds5

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

2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-methylanilino)-N-(3-ethylphenyl)acetamide (PubChem CID 23603729) has the molecular formula C22H25N3O3S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-methylanilino)-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-methylanilino)-N-(3-ethylphenyl)acetamide
PubChem CID23603729
Molecular FormulaC22H25N3O3S2
Molecular Weight443.59 g/mol
Exact Mass443.13
IUPAC Name2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-methylanilino)-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN(C2=NC3CS(=O)(=O)CC3S2)c2cccc(C)c2)c1
InChIInChI=1S/C22H25N3O3S2/c1-3-16-7-5-8-17(11-16)23-21(26)12-25(18-9-4-6-15(2)10-18)22-24-19-13-30(27,28)14-20(19)29-22/h4-11,19-20H,3,12-14H2,1-2H3,(H,23,26)
InChIKeyLMQDDPRYOBAMDC-UHFFFAOYSA-N
XLogP3.27
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-methylanilino)-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-methylanilino)-N-(3-ethylphenyl)acetamide (CID 23603729) is 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-methylanilino)-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-methylanilino)-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-methylanilino)-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CN(C2=NC3CS(=O)(=O)CC3S2)c2cccc(C)c2)c1.
What is the InChIKey of 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-methylanilino)-N-(3-ethylphenyl)acetamide?
The InChIKey is LMQDDPRYOBAMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S2/c1-3-16-7-5-8-17(11-16)23-21(26)12-25(18-9-4-6-15(2)10-18)22-24-19-13-30(27,28)14-20(19)29-22/h4-11,19-20H,3,12-14H2,1-2H3,(H,23,26).
What are the key properties of 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-methylanilino)-N-(3-ethylphenyl)acetamide?
2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-methylanilino)-N-(3-ethylphenyl)acetamide has a molecular weight of 443.59 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-methylanilino)-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 23603729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).