[4-(4-chlorophenyl)thiophen-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C17H18ClNO2S — CID 3657525

IUPAC[4-(4-chlorophenyl)thiophen-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3ccc(Cl)cc3)cs2)CC(C)O1
InChIInChI=1S/C17H18ClNO2S/c1-11-8-19(9-12(2)21-11)17(20)16-7-14(10-22-16)13-3-5-15(18)6-4-13/h3-7,10-12H,8-9H2,1-2H3
InChIKeyBHWKBOLYOPDXJM-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.32
Rot. Bonds2

About [4-(4-chlorophenyl)thiophen-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[4-(4-chlorophenyl)thiophen-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 3657525) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is [4-(4-chlorophenyl)thiophen-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)thiophen-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID3657525
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name[4-(4-chlorophenyl)thiophen-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3ccc(Cl)cc3)cs2)CC(C)O1
InChIInChI=1S/C17H18ClNO2S/c1-11-8-19(9-12(2)21-11)17(20)16-7-14(10-22-16)13-3-5-15(18)6-4-13/h3-7,10-12H,8-9H2,1-2H3
InChIKeyBHWKBOLYOPDXJM-UHFFFAOYSA-N
XLogP4.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)thiophen-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)thiophen-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 3657525) is [4-(4-chlorophenyl)thiophen-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)thiophen-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)thiophen-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(-c3ccc(Cl)cc3)cs2)CC(C)O1.
What is the InChIKey of [4-(4-chlorophenyl)thiophen-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is BHWKBOLYOPDXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-11-8-19(9-12(2)21-11)17(20)16-7-14(10-22-16)13-3-5-15(18)6-4-13/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of [4-(4-chlorophenyl)thiophen-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[4-(4-chlorophenyl)thiophen-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 335.86 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)thiophen-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 3657525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).