N-[3-[morpholin-4-yl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide

C19H24N2O2S2 — CID 3241607

IUPACN-[3-[morpholin-4-yl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(c1C(c1cccs1)N1CCOCC1)CCCC2
InChIInChI=1S/C19H24N2O2S2/c1-13(22)20-19-17(14-5-2-3-6-15(14)25-19)18(16-7-4-12-24-16)21-8-10-23-11-9-21/h4,7,12,18H,2-3,5-6,8-11H2,1H3,(H,20,22)
InChIKeyUADGQAJSVYKONW-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.07
Rot. Bonds4

About N-[3-[morpholin-4-yl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide

N-[3-[morpholin-4-yl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide (PubChem CID 3241607) has the molecular formula C19H24N2O2S2 and a molecular weight of 376.55 g/mol. Its IUPAC name is N-[3-[morpholin-4-yl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[morpholin-4-yl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
PubChem CID3241607
Molecular FormulaC19H24N2O2S2
Molecular Weight376.55 g/mol
Exact Mass376.13
IUPAC NameN-[3-[morpholin-4-yl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(c1C(c1cccs1)N1CCOCC1)CCCC2
InChIInChI=1S/C19H24N2O2S2/c1-13(22)20-19-17(14-5-2-3-6-15(14)25-19)18(16-7-4-12-24-16)21-8-10-23-11-9-21/h4,7,12,18H,2-3,5-6,8-11H2,1H3,(H,20,22)
InChIKeyUADGQAJSVYKONW-UHFFFAOYSA-N
XLogP4.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[morpholin-4-yl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide?
The IUPAC name of N-[3-[morpholin-4-yl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide (CID 3241607) is N-[3-[morpholin-4-yl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide.
What is the SMILES notation for N-[3-[morpholin-4-yl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide?
The canonical SMILES for N-[3-[morpholin-4-yl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide is CC(=O)Nc1sc2c(c1C(c1cccs1)N1CCOCC1)CCCC2.
What is the InChIKey of N-[3-[morpholin-4-yl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide?
The InChIKey is UADGQAJSVYKONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S2/c1-13(22)20-19-17(14-5-2-3-6-15(14)25-19)18(16-7-4-12-24-16)21-8-10-23-11-9-21/h4,7,12,18H,2-3,5-6,8-11H2,1H3,(H,20,22).
What are the key properties of N-[3-[morpholin-4-yl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide?
N-[3-[morpholin-4-yl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide has a molecular weight of 376.55 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[morpholin-4-yl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide is sourced from PubChem (CID 3241607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).