N-(2-benzylbutyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide

C25H27FN2O3S — CID 43898709

IUPACN-(2-benzylbutyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESCCC(CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Cc1ccccc1
InChIInChI=1S/C25H27FN2O3S/c1-2-20(17-21-9-5-3-6-10-21)18-27-25(29)19-28(23-11-7-4-8-12-23)32(30,31)24-15-13-22(26)14-16-24/h3-16,20H,2,17-19H2,1H3,(H,27,29)
InChIKeyFPSKFWUHMUWQDB-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.41
Rot. Bonds10

About N-(2-benzylbutyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide

N-(2-benzylbutyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide (PubChem CID 43898709) has the molecular formula C25H27FN2O3S and a molecular weight of 454.57 g/mol. Its IUPAC name is N-(2-benzylbutyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-benzylbutyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
PubChem CID43898709
Molecular FormulaC25H27FN2O3S
Molecular Weight454.57 g/mol
Exact Mass454.17
IUPAC NameN-(2-benzylbutyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESCCC(CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Cc1ccccc1
InChIInChI=1S/C25H27FN2O3S/c1-2-20(17-21-9-5-3-6-10-21)18-27-25(29)19-28(23-11-7-4-8-12-23)32(30,31)24-15-13-22(26)14-16-24/h3-16,20H,2,17-19H2,1H3,(H,27,29)
InChIKeyFPSKFWUHMUWQDB-UHFFFAOYSA-N
XLogP4.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3371561
N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 4240741
N-(2-benzylbutyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43893746
2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 4258706
N-(2-benzylbutyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43901290
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058135
2-[benzyl-[2-(N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132630768
2-[benzyl-[2-(N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-3-phenyl-N-propylpropanamide
CID 132633249
2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51142121
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 53280149
N-(4-fluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2973617
2-(N-(4-fluorophenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 46771883

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylbutyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2-benzylbutyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide (CID 43898709) is N-(2-benzylbutyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2-benzylbutyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2-benzylbutyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide is CCC(CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Cc1ccccc1.
What is the InChIKey of N-(2-benzylbutyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The InChIKey is FPSKFWUHMUWQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3S/c1-2-20(17-21-9-5-3-6-10-21)18-27-25(29)19-28(23-11-7-4-8-12-23)32(30,31)24-15-13-22(26)14-16-24/h3-16,20H,2,17-19H2,1H3,(H,27,29).
What are the key properties of N-(2-benzylbutyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
N-(2-benzylbutyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide has a molecular weight of 454.57 g/mol, XLogP of 4.41, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylbutyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 43898709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).