[5-(2-chlorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone

C15H14ClNO2S — CID 6096212

IUPAC[5-(2-chlorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccccc2Cl)s1)N1CCOCC1
InChIInChI=1S/C15H14ClNO2S/c16-12-4-2-1-3-11(12)13-5-6-14(20-13)15(18)17-7-9-19-10-8-17/h1-6H,7-10H2
InChIKeyNPUBXJMMDJHNKW-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.54
Rot. Bonds2

About [5-(2-chlorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone

[5-(2-chlorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone (PubChem CID 6096212) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is [5-(2-chlorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(2-chlorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone
PubChem CID6096212
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name[5-(2-chlorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccccc2Cl)s1)N1CCOCC1
InChIInChI=1S/C15H14ClNO2S/c16-12-4-2-1-3-11(12)13-5-6-14(20-13)15(18)17-7-9-19-10-8-17/h1-6H,7-10H2
InChIKeyNPUBXJMMDJHNKW-UHFFFAOYSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(2-chlorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone (CID 6096212) is [5-(2-chlorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(2-chlorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(2-chlorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2ccccc2Cl)s1)N1CCOCC1.
What is the InChIKey of [5-(2-chlorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone?
The InChIKey is NPUBXJMMDJHNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c16-12-4-2-1-3-11(12)13-5-6-14(20-13)15(18)17-7-9-19-10-8-17/h1-6H,7-10H2.
What are the key properties of [5-(2-chlorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone?
[5-(2-chlorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone has a molecular weight of 307.80 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6096212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).