4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfinyloxane-4-carboxamide

C22H27NO5S — CID 142845950

IUPAC4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfinyloxane-4-carboxamide
SMILESCCOCCOc1ccc(-c2ccc(S(=O)C3(C(N)=O)CCOCC3)cc2)cc1
InChIInChI=1S/C22H27NO5S/c1-2-26-15-16-28-19-7-3-17(4-8-19)18-5-9-20(10-6-18)29(25)22(21(23)24)11-13-27-14-12-22/h3-10H,2,11-16H2,1H3,(H2,23,24)
InChIKeySHMFRQHUQLJADG-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.91
Rot. Bonds9

About 4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfinyloxane-4-carboxamide

4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfinyloxane-4-carboxamide (PubChem CID 142845950) has the molecular formula C22H27NO5S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfinyloxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfinyloxane-4-carboxamide
PubChem CID142845950
Molecular FormulaC22H27NO5S
Molecular Weight417.53 g/mol
Exact Mass417.16
IUPAC Name4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfinyloxane-4-carboxamide
SMILESCCOCCOc1ccc(-c2ccc(S(=O)C3(C(N)=O)CCOCC3)cc2)cc1
InChIInChI=1S/C22H27NO5S/c1-2-26-15-16-28-19-7-3-17(4-8-19)18-5-9-20(10-6-18)29(25)22(21(23)24)11-13-27-14-12-22/h3-10H,2,11-16H2,1H3,(H2,23,24)
InChIKeySHMFRQHUQLJADG-UHFFFAOYSA-N
XLogP2.91
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfinyloxane-4-carboxamide
CID 142186355
4-[4-[3-[3-(4-aminophenyl)phenyl]propoxy]phenyl]sulfinyloxane-4-carboxamide
CID 142895523
4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]sulfinyl-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 142845790
4-[4-[3-(cyclopentanecarbonylamino)propoxy]phenyl]sulfinyloxane-4-carboxamide
CID 142186395
4-[4-[2-[2-(2-methylanilino)prop-2-enoylamino]ethoxy]phenyl]sulfinyloxane-4-carboxamide
CID 142186236
4-[4-[5-(3-methoxyprop-1-ynyl)pyrazin-2-yl]phenyl]sulfinyloxane-4-carboxamide
CID 142845764
4-[4-[3-(3-cyclohexyl-2,5-dioxoimidazolidin-1-yl)propoxy]phenyl]sulfinyloxane-4-carboxamide
CID 142186257
4-[4-[(2S)-4-[(3,4-dimethoxybenzoyl)amino]butan-2-yl]oxyphenyl]sulfinyloxane-4-carboxamide
CID 142186183
4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfonyl-N-(oxan-2-yloxy)oxane-4-carboxamide
CID 161227337
N-hydroxy-4-[4-(4-naphthalen-2-ylbutoxy)phenyl]sulfinyloxane-4-carboxamide
CID 142895489
4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide
CID 100685761
4-[4-(2-ethoxyethoxy)phenyl]benzaldehyde
CID 145127108

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfinyloxane-4-carboxamide?
The IUPAC name of 4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfinyloxane-4-carboxamide (CID 142845950) is 4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfinyloxane-4-carboxamide.
What is the SMILES notation for 4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfinyloxane-4-carboxamide?
The canonical SMILES for 4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfinyloxane-4-carboxamide is CCOCCOc1ccc(-c2ccc(S(=O)C3(C(N)=O)CCOCC3)cc2)cc1.
What is the InChIKey of 4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfinyloxane-4-carboxamide?
The InChIKey is SHMFRQHUQLJADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5S/c1-2-26-15-16-28-19-7-3-17(4-8-19)18-5-9-20(10-6-18)29(25)22(21(23)24)11-13-27-14-12-22/h3-10H,2,11-16H2,1H3,(H2,23,24).
What are the key properties of 4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfinyloxane-4-carboxamide?
4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfinyloxane-4-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfinyloxane-4-carboxamide is sourced from PubChem (CID 142845950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).