2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide

C23H30FN3O6S2 — CID 133234708

IUPAC2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide
SMILESCC(C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C23H30FN3O6S2/c1-18(27(34(2,29)30)22-9-5-4-8-21(22)24)23(28)25-14-17-33-19-10-12-20(13-11-19)35(31,32)26-15-6-3-7-16-26/h4-5,8-13,18H,3,6-7,14-17H2,1-2H3,(H,25,28)
InChIKeyCZEBFXXBXMBBIQ-UHFFFAOYSA-N
MW527.64 g/mol
LogP2.35
Rot. Bonds10

About 2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide

2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide (PubChem CID 133234708) has the molecular formula C23H30FN3O6S2 and a molecular weight of 527.64 g/mol. Its IUPAC name is 2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide
PubChem CID133234708
Molecular FormulaC23H30FN3O6S2
Molecular Weight527.64 g/mol
Exact Mass527.16
IUPAC Name2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide
SMILESCC(C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C23H30FN3O6S2/c1-18(27(34(2,29)30)22-9-5-4-8-21(22)24)23(28)25-14-17-33-19-10-12-20(13-11-19)35(31,32)26-15-6-3-7-16-26/h4-5,8-13,18H,3,6-7,14-17H2,1-2H3,(H,25,28)
InChIKeyCZEBFXXBXMBBIQ-UHFFFAOYSA-N
XLogP2.35
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.64
LogP ≤ 52.35
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

2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133244713
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 125072329
2-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133244711
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 125071297
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133240716
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133240721
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]acetamide
CID 125072002
2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
CID 133165321
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]butanamide
CID 133234719
N-[3-(4-ethoxyphenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 132666864
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide
CID 133234771
N-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 53285843

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide?
The IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide (CID 133234708) is 2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide?
The canonical SMILES for 2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide is CC(C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of 2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide?
The InChIKey is CZEBFXXBXMBBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O6S2/c1-18(27(34(2,29)30)22-9-5-4-8-21(22)24)23(28)25-14-17-33-19-10-12-20(13-11-19)35(31,32)26-15-6-3-7-16-26/h4-5,8-13,18H,3,6-7,14-17H2,1-2H3,(H,25,28).
What are the key properties of 2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide?
2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide has a molecular weight of 527.64 g/mol, XLogP of 2.35, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide is sourced from PubChem (CID 133234708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).