N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide

C22H27FN2O4S — CID 30249072

IUPACN-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCCOC1CCCC1
InChIInChI=1S/C22H27FN2O4S/c23-18-11-13-21(14-12-18)30(27,28)25(19-7-2-1-3-8-19)17-22(26)24-15-6-16-29-20-9-4-5-10-20/h1-3,7-8,11-14,20H,4-6,9-10,15-17H2,(H,24,26)
InChIKeyPBGBIHMYWIMJAI-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.49
Rot. Bonds10

About N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide

N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide (PubChem CID 30249072) has the molecular formula C22H27FN2O4S and a molecular weight of 434.53 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
PubChem CID30249072
Molecular FormulaC22H27FN2O4S
Molecular Weight434.53 g/mol
Exact Mass434.17
IUPAC NameN-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCCOC1CCCC1
InChIInChI=1S/C22H27FN2O4S/c23-18-11-13-21(14-12-18)30(27,28)25(19-7-2-1-3-8-19)17-22(26)24-15-6-16-29-20-9-4-5-10-20/h1-3,7-8,11-14,20H,4-6,9-10,15-17H2,(H,24,26)
InChIKeyPBGBIHMYWIMJAI-UHFFFAOYSA-N
XLogP3.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30174135
N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 30227480
N-(3-cyclopentyloxypropyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 30244473
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30174863
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30253559
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(3-cyclohexyloxypropyl)acetamide
CID 30205047
N-(3-cyclohexyloxypropyl)-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]acetamide
CID 30301452
N-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 30215284
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30213850
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30249007
N-(3-cyclopentyloxypropyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 30243973
N-(3-cyclohexyloxypropyl)-2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30227803

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide (CID 30249072) is N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCCOC1CCCC1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The InChIKey is PBGBIHMYWIMJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4S/c23-18-11-13-21(14-12-18)30(27,28)25(19-7-2-1-3-8-19)17-22(26)24-15-6-16-29-20-9-4-5-10-20/h1-3,7-8,11-14,20H,4-6,9-10,15-17H2,(H,24,26).
What are the key properties of N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide has a molecular weight of 434.53 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30249072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).