4-[2-[4-(5-pyrrol-1-ylsulfonylthiophen-2-yl)phenoxy]ethyl]morpholine

C20H22N2O4S2 — CID 150386439

IUPAC4-[2-[4-(5-pyrrol-1-ylsulfonylthiophen-2-yl)phenoxy]ethyl]morpholine
SMILESO=S(=O)(c1ccc(-c2ccc(OCCN3CCOCC3)cc2)s1)n1cccc1
InChIInChI=1S/C20H22N2O4S2/c23-28(24,22-9-1-2-10-22)20-8-7-19(27-20)17-3-5-18(6-4-17)26-16-13-21-11-14-25-15-12-21/h1-10H,11-16H2
InChIKeyHAUFLAMHLINMQC-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.16
Rot. Bonds7

About 4-[2-[4-(5-pyrrol-1-ylsulfonylthiophen-2-yl)phenoxy]ethyl]morpholine

4-[2-[4-(5-pyrrol-1-ylsulfonylthiophen-2-yl)phenoxy]ethyl]morpholine (PubChem CID 150386439) has the molecular formula C20H22N2O4S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 4-[2-[4-(5-pyrrol-1-ylsulfonylthiophen-2-yl)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(5-pyrrol-1-ylsulfonylthiophen-2-yl)phenoxy]ethyl]morpholine
PubChem CID150386439
Molecular FormulaC20H22N2O4S2
Molecular Weight418.54 g/mol
Exact Mass418.10
IUPAC Name4-[2-[4-(5-pyrrol-1-ylsulfonylthiophen-2-yl)phenoxy]ethyl]morpholine
SMILESO=S(=O)(c1ccc(-c2ccc(OCCN3CCOCC3)cc2)s1)n1cccc1
InChIInChI=1S/C20H22N2O4S2/c23-28(24,22-9-1-2-10-22)20-8-7-19(27-20)17-3-5-18(6-4-17)26-16-13-21-11-14-25-15-12-21/h1-10H,11-16H2
InChIKeyHAUFLAMHLINMQC-UHFFFAOYSA-N
XLogP3.16
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-[4-(5-pyrrol-1-ylsulfonylthiophen-2-yl)phenoxy]ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)phenyl]thiophene-3-carboxamide
CID 10221992
4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
CID 23117912
formic acid;4-[2-[6-(3-methylsulfonylphenyl)naphthalen-2-yl]oxyethyl]morpholine
CID 172911293
4-[2-[4-(6-ethyl-3-pyridinyl)phenoxy]ethyl]morpholine
CID 59845977
4-[2-(4-ethynylphenoxy)ethyl]morpholine
CID 58608139
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
1-fluoro-2-[4-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 87332393
4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine
CID 58930607

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(5-pyrrol-1-ylsulfonylthiophen-2-yl)phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(5-pyrrol-1-ylsulfonylthiophen-2-yl)phenoxy]ethyl]morpholine (CID 150386439) is 4-[2-[4-(5-pyrrol-1-ylsulfonylthiophen-2-yl)phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(5-pyrrol-1-ylsulfonylthiophen-2-yl)phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(5-pyrrol-1-ylsulfonylthiophen-2-yl)phenoxy]ethyl]morpholine is O=S(=O)(c1ccc(-c2ccc(OCCN3CCOCC3)cc2)s1)n1cccc1.
What is the InChIKey of 4-[2-[4-(5-pyrrol-1-ylsulfonylthiophen-2-yl)phenoxy]ethyl]morpholine?
The InChIKey is HAUFLAMHLINMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S2/c23-28(24,22-9-1-2-10-22)20-8-7-19(27-20)17-3-5-18(6-4-17)26-16-13-21-11-14-25-15-12-21/h1-10H,11-16H2.
What are the key properties of 4-[2-[4-(5-pyrrol-1-ylsulfonylthiophen-2-yl)phenoxy]ethyl]morpholine?
4-[2-[4-(5-pyrrol-1-ylsulfonylthiophen-2-yl)phenoxy]ethyl]morpholine has a molecular weight of 418.54 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(5-pyrrol-1-ylsulfonylthiophen-2-yl)phenoxy]ethyl]morpholine is sourced from PubChem (CID 150386439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).