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

C20H25N3O2S — CID 3963056

IUPACN-[3-[morpholin-4-yl(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(c1C(c1cccnc1)N1CCOCC1)CCCC2
InChIInChI=1S/C20H25N3O2S/c1-14(24)22-20-18(16-6-2-3-7-17(16)26-20)19(15-5-4-8-21-13-15)23-9-11-25-12-10-23/h4-5,8,13,19H,2-3,6-7,9-12H2,1H3,(H,22,24)
InChIKeyRLGQNBDNIYHTCU-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.40
Rot. Bonds4

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

N-[3-[morpholin-4-yl(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide (PubChem CID 3963056) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[3-[morpholin-4-yl(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[morpholin-4-yl(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
PubChem CID3963056
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[3-[morpholin-4-yl(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(c1C(c1cccnc1)N1CCOCC1)CCCC2
InChIInChI=1S/C20H25N3O2S/c1-14(24)22-20-18(16-6-2-3-7-17(16)26-20)19(15-5-4-8-21-13-15)23-9-11-25-12-10-23/h4-5,8,13,19H,2-3,6-7,9-12H2,1H3,(H,22,24)
InChIKeyRLGQNBDNIYHTCU-UHFFFAOYSA-N
XLogP3.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.40
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(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide?
The IUPAC name of N-[3-[morpholin-4-yl(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide (CID 3963056) is N-[3-[morpholin-4-yl(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide.
What is the SMILES notation for N-[3-[morpholin-4-yl(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide?
The canonical SMILES for N-[3-[morpholin-4-yl(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide is CC(=O)Nc1sc2c(c1C(c1cccnc1)N1CCOCC1)CCCC2.
What is the InChIKey of N-[3-[morpholin-4-yl(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide?
The InChIKey is RLGQNBDNIYHTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-14(24)22-20-18(16-6-2-3-7-17(16)26-20)19(15-5-4-8-21-13-15)23-9-11-25-12-10-23/h4-5,8,13,19H,2-3,6-7,9-12H2,1H3,(H,22,24).
What are the key properties of N-[3-[morpholin-4-yl(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide?
N-[3-[morpholin-4-yl(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide has a molecular weight of 371.51 g/mol, XLogP of 3.40, 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(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide is sourced from PubChem (CID 3963056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).