2-(3-methylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide

C22H28N2O5S — CID 133240632

IUPAC2-(3-methylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
SMILESCc1cccc(OC(C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C22H28N2O5S/c1-17-6-5-7-20(16-17)29-18(2)22(25)23-12-15-28-19-8-10-21(11-9-19)30(26,27)24-13-3-4-14-24/h5-11,16,18H,3-4,12-15H2,1-2H3,(H,23,25)
InChIKeyWDFODWLZWNCQLV-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.74
Rot. Bonds9

About 2-(3-methylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide

2-(3-methylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide (PubChem CID 133240632) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
PubChem CID133240632
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name2-(3-methylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
SMILESCc1cccc(OC(C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C22H28N2O5S/c1-17-6-5-7-20(16-17)29-18(2)22(25)23-12-15-28-19-8-10-21(11-9-19)30(26,27)24-13-3-4-14-24/h5-11,16,18H,3-4,12-15H2,1-2H3,(H,23,25)
InChIKeyWDFODWLZWNCQLV-UHFFFAOYSA-N
XLogP2.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.74
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

2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133234750
2-(4-tert-butylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133240630
(2S)-2-(3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 7760214
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide
CID 133234857
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-naphthalen-2-yloxypropanamide
CID 133234805
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 37363339
2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide
CID 133234915
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143238
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133244713
(3R)-1-(4-fluorophenyl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 9224222
2-(3-methylphenoxy)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2553590
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]butanamide
CID 133234719

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide (CID 133240632) is 2-(3-methylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide is Cc1cccc(OC(C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide?
The InChIKey is WDFODWLZWNCQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-17-6-5-7-20(16-17)29-18(2)22(25)23-12-15-28-19-8-10-21(11-9-19)30(26,27)24-13-3-4-14-24/h5-11,16,18H,3-4,12-15H2,1-2H3,(H,23,25).
What are the key properties of 2-(3-methylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide?
2-(3-methylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide has a molecular weight of 432.54 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide is sourced from PubChem (CID 133240632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).