4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfinyloxane-4-carboxamide

C21H24N2O6S — CID 142186355

IUPAC4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfinyloxane-4-carboxamide
SMILESNC(=O)c1cccc(OCCOc2ccc(S(=O)C3(C(N)=O)CCOCC3)cc2)c1
InChIInChI=1S/C21H24N2O6S/c22-19(24)15-2-1-3-17(14-15)29-13-12-28-16-4-6-18(7-5-16)30(26)21(20(23)25)8-10-27-11-9-21/h1-7,14H,8-13H2,(H2,22,24)(H2,23,25)
InChIKeyMAHGPCXXWUBJRU-UHFFFAOYSA-N
MW432.50 g/mol
LogP1.39
Rot. Bonds9

About 4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfinyloxane-4-carboxamide

4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfinyloxane-4-carboxamide (PubChem CID 142186355) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfinyloxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfinyloxane-4-carboxamide
PubChem CID142186355
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Name4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfinyloxane-4-carboxamide
SMILESNC(=O)c1cccc(OCCOc2ccc(S(=O)C3(C(N)=O)CCOCC3)cc2)c1
InChIInChI=1S/C21H24N2O6S/c22-19(24)15-2-1-3-17(14-15)29-13-12-28-16-4-6-18(7-5-16)30(26)21(20(23)25)8-10-27-11-9-21/h1-7,14H,8-13H2,(H2,22,24)(H2,23,25)
InChIKeyMAHGPCXXWUBJRU-UHFFFAOYSA-N
XLogP1.39
TPSA130.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfinyloxane-4-carboxamide
CID 142845950
4-[4-[3-[3-(4-aminophenyl)phenyl]propoxy]phenyl]sulfinyloxane-4-carboxamide
CID 142895523
4-[4-(3-benzylsulfanylpropoxy)phenyl]sulfinyloxane-4-carboxamide
CID 142186427
4-[4-[2-[2-(2-methylanilino)prop-2-enoylamino]ethoxy]phenyl]sulfinyloxane-4-carboxamide
CID 142186236
4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[2-(3-phenylphenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide
CID 158147702
4-[4-[3-(3-cyclohexyl-2,5-dioxoimidazolidin-1-yl)propoxy]phenyl]sulfinyloxane-4-carboxamide
CID 142186257
N-hydroxy-4-[4-(4-naphthalen-2-ylbutoxy)phenyl]sulfinyloxane-4-carboxamide
CID 142895489
3-propoxybenzamide
CID 22311435
4-[4-[(2S)-4-[(3,4-dimethoxybenzoyl)amino]butan-2-yl]oxyphenyl]sulfinyloxane-4-carboxamide
CID 142186183
3-(6-bromohexoxy)benzamide
CID 59402930
3-(10-bromodecoxy)benzamide
CID 59402968
4-(2-phenoxyethyl)oxane-4-carboxylic acid
CID 62907146

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfinyloxane-4-carboxamide?
The IUPAC name of 4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfinyloxane-4-carboxamide (CID 142186355) is 4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfinyloxane-4-carboxamide.
What is the SMILES notation for 4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfinyloxane-4-carboxamide?
The canonical SMILES for 4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfinyloxane-4-carboxamide is NC(=O)c1cccc(OCCOc2ccc(S(=O)C3(C(N)=O)CCOCC3)cc2)c1.
What is the InChIKey of 4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfinyloxane-4-carboxamide?
The InChIKey is MAHGPCXXWUBJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c22-19(24)15-2-1-3-17(14-15)29-13-12-28-16-4-6-18(7-5-16)30(26)21(20(23)25)8-10-27-11-9-21/h1-7,14H,8-13H2,(H2,22,24)(H2,23,25).
What are the key properties of 4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfinyloxane-4-carboxamide?
4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfinyloxane-4-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfinyloxane-4-carboxamide is sourced from PubChem (CID 142186355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).