2-(N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide

C26H28FN3O3S — CID 43898723

IUPAC2-(N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C26H28FN3O3S/c1-20(21-9-13-23(14-10-21)29-17-5-6-18-29)28-26(31)19-30(24-7-3-2-4-8-24)34(32,33)25-15-11-22(27)12-16-25/h2-4,7-16,20H,5-6,17-19H2,1H3,(H,28,31)
InChIKeySOIKOMDHTKKFMZ-UHFFFAOYSA-N
MW481.59 g/mol
LogP4.50
Rot. Bonds8

About 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide

2-(N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide (PubChem CID 43898723) has the molecular formula C26H28FN3O3S and a molecular weight of 481.59 g/mol. Its IUPAC name is 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
PubChem CID43898723
Molecular FormulaC26H28FN3O3S
Molecular Weight481.59 g/mol
Exact Mass481.18
IUPAC Name2-(N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C26H28FN3O3S/c1-20(21-9-13-23(14-10-21)29-17-5-6-18-29)28-26(31)19-30(24-7-3-2-4-8-24)34(32,33)25-15-11-22(27)12-16-25/h2-4,7-16,20H,5-6,17-19H2,1H3,(H,28,31)
InChIKeySOIKOMDHTKKFMZ-UHFFFAOYSA-N
XLogP4.50
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43891952
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43897263
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43892474
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100511409
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 43893688
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43899258
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 43892446
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43892552
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide
CID 2888862
2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 4258706
2-(N-(4-methylphenyl)sulfonylanilino)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43893613
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 133188780

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide (CID 43898723) is 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide is CC(NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide?
The InChIKey is SOIKOMDHTKKFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3S/c1-20(21-9-13-23(14-10-21)29-17-5-6-18-29)28-26(31)19-30(24-7-3-2-4-8-24)34(32,33)25-15-11-22(27)12-16-25/h2-4,7-16,20H,5-6,17-19H2,1H3,(H,28,31).
What are the key properties of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide?
2-(N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide has a molecular weight of 481.59 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 43898723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).