(5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone

C16H19NO4S — CID 67094298

IUPAC(5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
SMILESCOc1cc2sc(C(=O)N3CCOCC3)c(C)c2cc1OC
InChIInChI=1S/C16H19NO4S/c1-10-11-8-12(19-2)13(20-3)9-14(11)22-15(10)16(18)17-4-6-21-7-5-17/h8-9H,4-7H2,1-3H3
InChIKeyXHMPBEHVWAARPU-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.70
Rot. Bonds3

About (5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone

(5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone (PubChem CID 67094298) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is (5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
PubChem CID67094298
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name(5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
SMILESCOc1cc2sc(C(=O)N3CCOCC3)c(C)c2cc1OC
InChIInChI=1S/C16H19NO4S/c1-10-11-8-12(19-2)13(20-3)9-14(11)22-15(10)16(18)17-4-6-21-7-5-17/h8-9H,4-7H2,1-3H3
InChIKeyXHMPBEHVWAARPU-UHFFFAOYSA-N
XLogP2.70
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone (CID 67094298) is (5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone is COc1cc2sc(C(=O)N3CCOCC3)c(C)c2cc1OC.
What is the InChIKey of (5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
The InChIKey is XHMPBEHVWAARPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-10-11-8-12(19-2)13(20-3)9-14(11)22-15(10)16(18)17-4-6-21-7-5-17/h8-9H,4-7H2,1-3H3.
What are the key properties of (5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone?
(5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone has a molecular weight of 321.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 67094298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).