N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide

C25H27N3O3S2 — CID 55951870

IUPACN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
SMILESCOc1ccccc1CN1CCC(NC(=O)COc2cc3sc(C)nc3c3sccc23)CC1
InChIInChI=1S/C25H27N3O3S2/c1-16-26-24-22(33-16)13-21(19-9-12-32-25(19)24)31-15-23(29)27-18-7-10-28(11-8-18)14-17-5-3-4-6-20(17)30-2/h3-6,9,12-13,18H,7-8,10-11,14-15H2,1-2H3,(H,27,29)
InChIKeyPTIGFUMUGSLCGY-UHFFFAOYSA-N
MW481.64 g/mol
LogP4.99
Rot. Bonds7

About N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide

N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide (PubChem CID 55951870) has the molecular formula C25H27N3O3S2 and a molecular weight of 481.64 g/mol. Its IUPAC name is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
PubChem CID55951870
Molecular FormulaC25H27N3O3S2
Molecular Weight481.64 g/mol
Exact Mass481.15
IUPAC NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
SMILESCOc1ccccc1CN1CCC(NC(=O)COc2cc3sc(C)nc3c3sccc23)CC1
InChIInChI=1S/C25H27N3O3S2/c1-16-26-24-22(33-16)13-21(19-9-12-32-25(19)24)31-15-23(29)27-18-7-10-28(11-8-18)14-17-5-3-4-6-20(17)30-2/h3-6,9,12-13,18H,7-8,10-11,14-15H2,1-2H3,(H,27,29)
InChIKeyPTIGFUMUGSLCGY-UHFFFAOYSA-N
XLogP4.99
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.64
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanone
CID 51172564
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 55951851
N-(2-methoxy-2-phenylethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 60543734
N-benzyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide
CID 46492982
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[(2S)-oxan-2-yl]oxyacetamide
CID 95143080
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate
CID 56580860
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4786981
3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 55952881
N-(3-methoxypropyl)-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide
CID 55954715
N-(3-methoxypropyl)-2-[4-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperazin-1-yl]acetamide
CID 55694016
N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 29291844

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide?
The IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide (CID 55951870) is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide.
What is the SMILES notation for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide?
The canonical SMILES for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide is COc1ccccc1CN1CCC(NC(=O)COc2cc3sc(C)nc3c3sccc23)CC1.
What is the InChIKey of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide?
The InChIKey is PTIGFUMUGSLCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S2/c1-16-26-24-22(33-16)13-21(19-9-12-32-25(19)24)31-15-23(29)27-18-7-10-28(11-8-18)14-17-5-3-4-6-20(17)30-2/h3-6,9,12-13,18H,7-8,10-11,14-15H2,1-2H3,(H,27,29).
What are the key properties of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide?
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide has a molecular weight of 481.64 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide is sourced from PubChem (CID 55951870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).