2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide

C21H25ClN2O5S2 — CID 133234759

IUPAC2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H25ClN2O5S2/c1-16(30-19-6-2-17(22)3-7-19)21(25)23-10-13-29-18-4-8-20(9-5-18)31(26,27)24-11-14-28-15-12-24/h2-9,16H,10-15H2,1H3,(H,23,25)
InChIKeyISUMXGBNACKVHN-UHFFFAOYSA-N
MW485.03 g/mol
LogP3.04
Rot. Bonds9

About 2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide

2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide (PubChem CID 133234759) has the molecular formula C21H25ClN2O5S2 and a molecular weight of 485.03 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide
PubChem CID133234759
Molecular FormulaC21H25ClN2O5S2
Molecular Weight485.03 g/mol
Exact Mass484.09
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H25ClN2O5S2/c1-16(30-19-6-2-17(22)3-7-19)21(25)23-10-13-29-18-4-8-20(9-5-18)31(26,27)24-11-14-28-15-12-24/h2-9,16H,10-15H2,1H3,(H,23,25)
InChIKeyISUMXGBNACKVHN-UHFFFAOYSA-N
XLogP3.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.03
LogP ≤ 53.04
H-Bond Donors ≤ 51
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-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 99999523
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide
CID 133234857
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate
CID 26970218
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide
CID 27758314
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-naphthalen-2-yloxypropanamide
CID 133234805
2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 24555330
2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 43908024
2-(3,5-dimethylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butanamide
CID 133234913
2-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 42987634
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide
CID 133234771
2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide
CID 133234915

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide (CID 133234759) is 2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide is CC(Sc1ccc(Cl)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide?
The InChIKey is ISUMXGBNACKVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O5S2/c1-16(30-19-6-2-17(22)3-7-19)21(25)23-10-13-29-18-4-8-20(9-5-18)31(26,27)24-11-14-28-15-12-24/h2-9,16H,10-15H2,1H3,(H,23,25).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide?
2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide has a molecular weight of 485.03 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide is sourced from PubChem (CID 133234759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).