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

C18H22ClN3O4S2 — CID 129426071

IUPAC2-(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
SMILESO=C(CN(C1=N[C@@H]2CS(=O)(=O)C[C@H]2S1)c1cccc(Cl)c1)NC[C@H]1CCCO1
InChIInChI=1S/C18H22ClN3O4S2/c19-12-3-1-4-13(7-12)22(9-17(23)20-8-14-5-2-6-26-14)18-21-15-10-28(24,25)11-16(15)27-18/h1,3-4,7,14-16H,2,5-6,8-11H2,(H,20,23)/t14-,15-,16-/m1/s1
InChIKeyOEYVVIRDVTWOMY-BZUAXINKSA-N
MW443.98 g/mol
LogP1.71
Rot. Bonds5

About 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

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 (PubChem CID 129426071) has the molecular formula C18H22ClN3O4S2 and a molecular weight of 443.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID129426071
Molecular FormulaC18H22ClN3O4S2
Molecular Weight443.98 g/mol
Exact Mass443.07
IUPAC Name2-(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
SMILESO=C(CN(C1=N[C@@H]2CS(=O)(=O)C[C@H]2S1)c1cccc(Cl)c1)NC[C@H]1CCCO1
InChIInChI=1S/C18H22ClN3O4S2/c19-12-3-1-4-13(7-12)22(9-17(23)20-8-14-5-2-6-26-14)18-21-15-10-28(24,25)11-16(15)27-18/h1,3-4,7,14-16H,2,5-6,8-11H2,(H,20,23)/t14-,15-,16-/m1/s1
InChIKeyOEYVVIRDVTWOMY-BZUAXINKSA-N
XLogP1.71
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3144142
3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 19237283
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1138641
5-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide
CID 93140760
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-(4-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 976928
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate
CID 7803969
2-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1144931
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 8991497
2-[6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97046496
2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113171488

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CN(C1=N[C@@H]2CS(=O)(=O)C[C@H]2S1)c1cccc(Cl)c1)NC[C@H]1CCCO1.
What is the InChIKey of 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?
The InChIKey is OEYVVIRDVTWOMY-BZUAXINKSA-N. The full InChI is InChI=1S/C18H22ClN3O4S2/c19-12-3-1-4-13(7-12)22(9-17(23)20-8-14-5-2-6-26-14)18-21-15-10-28(24,25)11-16(15)27-18/h1,3-4,7,14-16H,2,5-6,8-11H2,(H,20,23)/t14-,15-,16-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 443.98 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129426071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).