2-(N-[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C19H25N3O5S2 — CID 98467525

IUPAC2-(N-[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCOc1ccc(N(CC(=O)NC[C@@H]2CCCO2)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1
InChIInChI=1S/C19H25N3O5S2/c1-26-14-6-4-13(5-7-14)22(10-18(23)20-9-15-3-2-8-27-15)19-21-16-11-29(24,25)12-17(16)28-19/h4-7,15-17H,2-3,8-12H2,1H3,(H,20,23)/t15-,16-,17+/m0/s1
InChIKeyLLDYTUDIHGQVJW-YESZJQIVSA-N
MW439.56 g/mol
LogP1.07
Rot. Bonds6

About 2-(N-[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(N-[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 98467525) has the molecular formula C19H25N3O5S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-(N-[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(N-[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID98467525
Molecular FormulaC19H25N3O5S2
Molecular Weight439.56 g/mol
Exact Mass439.12
IUPAC Name2-(N-[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCOc1ccc(N(CC(=O)NC[C@@H]2CCCO2)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1
InChIInChI=1S/C19H25N3O5S2/c1-26-14-6-4-13(5-7-14)22(10-18(23)20-9-15-3-2-8-27-15)19-21-16-11-29(24,25)12-17(16)28-19/h4-7,15-17H,2-3,8-12H2,1H3,(H,20,23)/t15-,16-,17+/m0/s1
InChIKeyLLDYTUDIHGQVJW-YESZJQIVSA-N
XLogP1.07
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(N-[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-(N-[(3aR,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3-chloroanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 129426071
2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 6591963
2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 6591964
2-(4-methoxy-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 815924
2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 92701743
3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17034638
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113165954
2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-fluoroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 23603694
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3121372
3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015917
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 25418906
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 8905770

Frequently Asked Questions

What is the IUPAC name of 2-(N-[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(N-[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 98467525) is 2-(N-[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(N-[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(N-[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is COc1ccc(N(CC(=O)NC[C@@H]2CCCO2)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1.
What is the InChIKey of 2-(N-[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is LLDYTUDIHGQVJW-YESZJQIVSA-N. The full InChI is InChI=1S/C19H25N3O5S2/c1-26-14-6-4-13(5-7-14)22(10-18(23)20-9-15-3-2-8-27-15)19-21-16-11-29(24,25)12-17(16)28-19/h4-7,15-17H,2-3,8-12H2,1H3,(H,20,23)/t15-,16-,17+/m0/s1.
What are the key properties of 2-(N-[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(N-[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 439.56 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 98467525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).