[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone

C18H20ClNO2S — CID 59138508

IUPAC[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone
SMILESCC(C)c1ccc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)s1
InChIInChI=1S/C18H20ClNO2S/c1-12(2)16-5-6-17(23-16)13-3-4-14(15(19)11-13)18(21)20-7-9-22-10-8-20/h3-6,11-12H,7-10H2,1-2H3
InChIKeyZBRXLXSLYOQNTN-UHFFFAOYSA-N
MW349.88 g/mol
LogP4.66
Rot. Bonds3

About [2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone

[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone (PubChem CID 59138508) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is [2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone
PubChem CID59138508
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone
SMILESCC(C)c1ccc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)s1
InChIInChI=1S/C18H20ClNO2S/c1-12(2)16-5-6-17(23-16)13-3-4-14(15(19)11-13)18(21)20-7-9-22-10-8-20/h3-6,11-12H,7-10H2,1-2H3
InChIKeyZBRXLXSLYOQNTN-UHFFFAOYSA-N
XLogP4.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone (CID 59138508) is [2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone is CC(C)c1ccc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)s1.
What is the InChIKey of [2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is ZBRXLXSLYOQNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-12(2)16-5-6-17(23-16)13-3-4-14(15(19)11-13)18(21)20-7-9-22-10-8-20/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of [2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone?
[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 349.88 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 59138508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).