1-[5-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]thiophen-3-yl]ethanone

C16H18N2O3S — CID 86794099

IUPAC1-[5-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]thiophen-3-yl]ethanone
SMILESCC(=O)c1csc(C(=O)N2CCOCC2c2cccn2C)c1
InChIInChI=1S/C16H18N2O3S/c1-11(19)12-8-15(22-10-12)16(20)18-6-7-21-9-14(18)13-4-3-5-17(13)2/h3-5,8,10,14H,6-7,9H2,1-2H3
InChIKeyAODHVGALQXDPBK-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.50
Rot. Bonds3

About 1-[5-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]thiophen-3-yl]ethanone

1-[5-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]thiophen-3-yl]ethanone (PubChem CID 86794099) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[5-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]thiophen-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]thiophen-3-yl]ethanone
PubChem CID86794099
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name1-[5-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]thiophen-3-yl]ethanone
SMILESCC(=O)c1csc(C(=O)N2CCOCC2c2cccn2C)c1
InChIInChI=1S/C16H18N2O3S/c1-11(19)12-8-15(22-10-12)16(20)18-6-7-21-9-14(18)13-4-3-5-17(13)2/h3-5,8,10,14H,6-7,9H2,1-2H3
InChIKeyAODHVGALQXDPBK-UHFFFAOYSA-N
XLogP2.50
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]thiophen-3-yl]ethanone?
The IUPAC name of 1-[5-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]thiophen-3-yl]ethanone (CID 86794099) is 1-[5-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]thiophen-3-yl]ethanone.
What is the SMILES notation for 1-[5-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]thiophen-3-yl]ethanone?
The canonical SMILES for 1-[5-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]thiophen-3-yl]ethanone is CC(=O)c1csc(C(=O)N2CCOCC2c2cccn2C)c1.
What is the InChIKey of 1-[5-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]thiophen-3-yl]ethanone?
The InChIKey is AODHVGALQXDPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11(19)12-8-15(22-10-12)16(20)18-6-7-21-9-14(18)13-4-3-5-17(13)2/h3-5,8,10,14H,6-7,9H2,1-2H3.
What are the key properties of 1-[5-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]thiophen-3-yl]ethanone?
1-[5-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]thiophen-3-yl]ethanone has a molecular weight of 318.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]thiophen-3-yl]ethanone is sourced from PubChem (CID 86794099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).