5-[5-[3-(2-chlorophenyl)propyl]thiophen-2-yl]-3,3-dimethyl-1-morpholin-4-ylpentan-1-one

C24H32ClNO2S — CID 11797070

IUPAC5-[5-[3-(2-chlorophenyl)propyl]thiophen-2-yl]-3,3-dimethyl-1-morpholin-4-ylpentan-1-one
SMILESCC(C)(CCc1ccc(CCCc2ccccc2Cl)s1)CC(=O)N1CCOCC1
InChIInChI=1S/C24H32ClNO2S/c1-24(2,18-23(27)26-14-16-28-17-15-26)13-12-21-11-10-20(29-21)8-5-7-19-6-3-4-9-22(19)25/h3-4,6,9-11H,5,7-8,12-18H2,1-2H3
InChIKeyLSXLZSIIHNCJFB-UHFFFAOYSA-N
MW434.05 g/mol
LogP5.78
Rot. Bonds9

About 5-[5-[3-(2-chlorophenyl)propyl]thiophen-2-yl]-3,3-dimethyl-1-morpholin-4-ylpentan-1-one

5-[5-[3-(2-chlorophenyl)propyl]thiophen-2-yl]-3,3-dimethyl-1-morpholin-4-ylpentan-1-one (PubChem CID 11797070) has the molecular formula C24H32ClNO2S and a molecular weight of 434.05 g/mol. Its IUPAC name is 5-[5-[3-(2-chlorophenyl)propyl]thiophen-2-yl]-3,3-dimethyl-1-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name5-[5-[3-(2-chlorophenyl)propyl]thiophen-2-yl]-3,3-dimethyl-1-morpholin-4-ylpentan-1-one
PubChem CID11797070
Molecular FormulaC24H32ClNO2S
Molecular Weight434.05 g/mol
Exact Mass433.18
IUPAC Name5-[5-[3-(2-chlorophenyl)propyl]thiophen-2-yl]-3,3-dimethyl-1-morpholin-4-ylpentan-1-one
SMILESCC(C)(CCc1ccc(CCCc2ccccc2Cl)s1)CC(=O)N1CCOCC1
InChIInChI=1S/C24H32ClNO2S/c1-24(2,18-23(27)26-14-16-28-17-15-26)13-12-21-11-10-20(29-21)8-5-7-19-6-3-4-9-22(19)25/h3-4,6,9-11H,5,7-8,12-18H2,1-2H3
InChIKeyLSXLZSIIHNCJFB-UHFFFAOYSA-N
XLogP5.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.05
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-morpholin-4-yl-5-thiophen-2-ylpentan-1-one
CID 131720366
2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone
CID 134160663
4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83924216
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900655
7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155511120
[1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132526
4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one
CID 166222857
3-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 64685110
3-(2-chlorophenyl)-1-[4-(3-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]propan-1-one
CID 137341785
4-[3,3-dimethyl-5-[5-(2-phenylethyl)thiophen-2-yl]pentyl]morpholine
CID 10714298
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
CID 20899818

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-(2-chlorophenyl)propyl]thiophen-2-yl]-3,3-dimethyl-1-morpholin-4-ylpentan-1-one?
The IUPAC name of 5-[5-[3-(2-chlorophenyl)propyl]thiophen-2-yl]-3,3-dimethyl-1-morpholin-4-ylpentan-1-one (CID 11797070) is 5-[5-[3-(2-chlorophenyl)propyl]thiophen-2-yl]-3,3-dimethyl-1-morpholin-4-ylpentan-1-one.
What is the SMILES notation for 5-[5-[3-(2-chlorophenyl)propyl]thiophen-2-yl]-3,3-dimethyl-1-morpholin-4-ylpentan-1-one?
The canonical SMILES for 5-[5-[3-(2-chlorophenyl)propyl]thiophen-2-yl]-3,3-dimethyl-1-morpholin-4-ylpentan-1-one is CC(C)(CCc1ccc(CCCc2ccccc2Cl)s1)CC(=O)N1CCOCC1.
What is the InChIKey of 5-[5-[3-(2-chlorophenyl)propyl]thiophen-2-yl]-3,3-dimethyl-1-morpholin-4-ylpentan-1-one?
The InChIKey is LSXLZSIIHNCJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClNO2S/c1-24(2,18-23(27)26-14-16-28-17-15-26)13-12-21-11-10-20(29-21)8-5-7-19-6-3-4-9-22(19)25/h3-4,6,9-11H,5,7-8,12-18H2,1-2H3.
What are the key properties of 5-[5-[3-(2-chlorophenyl)propyl]thiophen-2-yl]-3,3-dimethyl-1-morpholin-4-ylpentan-1-one?
5-[5-[3-(2-chlorophenyl)propyl]thiophen-2-yl]-3,3-dimethyl-1-morpholin-4-ylpentan-1-one has a molecular weight of 434.05 g/mol, XLogP of 5.78, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-(2-chlorophenyl)propyl]thiophen-2-yl]-3,3-dimethyl-1-morpholin-4-ylpentan-1-one is sourced from PubChem (CID 11797070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).