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

C22H25N3O4S2 — CID 23603820

IUPAC2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-ethylanilino)-N-(3-methoxyphenyl)acetamide
SMILESCCc1ccc(N(CC(=O)Nc2cccc(OC)c2)C2=NC3CS(=O)(=O)CC3S2)cc1
InChIInChI=1S/C22H25N3O4S2/c1-3-15-7-9-17(10-8-15)25(22-24-19-13-31(27,28)14-20(19)30-22)12-21(26)23-16-5-4-6-18(11-16)29-2/h4-11,19-20H,3,12-14H2,1-2H3,(H,23,26)
InChIKeyTVQQOMSKJZBMCH-UHFFFAOYSA-N
MW459.59 g/mol
LogP2.97
Rot. Bonds6

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

2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-ethylanilino)-N-(3-methoxyphenyl)acetamide (PubChem CID 23603820) has the molecular formula C22H25N3O4S2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-ethylanilino)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-ethylanilino)-N-(3-methoxyphenyl)acetamide
PubChem CID23603820
Molecular FormulaC22H25N3O4S2
Molecular Weight459.59 g/mol
Exact Mass459.13
IUPAC Name2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-ethylanilino)-N-(3-methoxyphenyl)acetamide
SMILESCCc1ccc(N(CC(=O)Nc2cccc(OC)c2)C2=NC3CS(=O)(=O)CC3S2)cc1
InChIInChI=1S/C22H25N3O4S2/c1-3-15-7-9-17(10-8-15)25(22-24-19-13-31(27,28)14-20(19)30-22)12-21(26)23-16-5-4-6-18(11-16)29-2/h4-11,19-20H,3,12-14H2,1-2H3,(H,23,26)
InChIKeyTVQQOMSKJZBMCH-UHFFFAOYSA-N
XLogP2.97
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-(4-chloro-N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)anilino)-N-(3-methylphenyl)acetamide
CID 23603687
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
(3aR,6aR)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
CID 2138493
(3aR,6aS)-N-[(4-chlorophenyl)methyl]-N-(4-ethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
CID 2141010
(3aS,6aR)-N-[(4-chlorophenyl)methyl]-N-(4-ethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
CID 6592100
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(3-methoxyphenyl)acetamide
CID 51182938
2-N-(4-ethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142087
N-(2,5-dimethoxyphenyl)-2-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]acetamide
CID 20874987
2-[(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-methoxyanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 23603735
2-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
1-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119729055

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)-4-ethylanilino)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-ethylanilino)-N-(3-methoxyphenyl)acetamide (CID 23603820) is 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-ethylanilino)-N-(3-methoxyphenyl)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)-4-ethylanilino)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-ethylanilino)-N-(3-methoxyphenyl)acetamide is CCc1ccc(N(CC(=O)Nc2cccc(OC)c2)C2=NC3CS(=O)(=O)CC3S2)cc1.
What is the InChIKey of 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-ethylanilino)-N-(3-methoxyphenyl)acetamide?
The InChIKey is TVQQOMSKJZBMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S2/c1-3-15-7-9-17(10-8-15)25(22-24-19-13-31(27,28)14-20(19)30-22)12-21(26)23-16-5-4-6-18(11-16)29-2/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)-4-ethylanilino)-N-(3-methoxyphenyl)acetamide?
2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-ethylanilino)-N-(3-methoxyphenyl)acetamide has a molecular weight of 459.59 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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)-4-ethylanilino)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 23603820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).