N-(2-benzylbutyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide

C23H25FN2O3S2 — CID 43901298

IUPACN-(2-benzylbutyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCCC(CNC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1)Cc1ccccc1
InChIInChI=1S/C23H25FN2O3S2/c1-2-18(15-19-9-4-3-5-10-19)16-25-22(27)17-26(21-12-7-6-11-20(21)24)31(28,29)23-13-8-14-30-23/h3-14,18H,2,15-17H2,1H3,(H,25,27)
InChIKeyPBDISXDJAGMVRV-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.47
Rot. Bonds10

About N-(2-benzylbutyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide

N-(2-benzylbutyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide (PubChem CID 43901298) has the molecular formula C23H25FN2O3S2 and a molecular weight of 460.60 g/mol. Its IUPAC name is N-(2-benzylbutyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-benzylbutyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
PubChem CID43901298
Molecular FormulaC23H25FN2O3S2
Molecular Weight460.60 g/mol
Exact Mass460.13
IUPAC NameN-(2-benzylbutyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCCC(CNC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1)Cc1ccccc1
InChIInChI=1S/C23H25FN2O3S2/c1-2-18(15-19-9-4-3-5-10-19)16-25-22(27)17-26(21-12-7-6-11-20(21)24)31(28,29)23-13-8-14-30-23/h3-14,18H,2,15-17H2,1H3,(H,25,27)
InChIKeyPBDISXDJAGMVRV-UHFFFAOYSA-N
XLogP4.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255328
N-(2-benzylbutyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43901290
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-propan-2-ylacetamide
CID 30255419
N-(2-benzylsulfanylethyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30263213
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 30265604
N-[3-(dimethylamino)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30271855
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 30302278
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 30265451
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30278173
N,N-diethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30256313
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255117

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylbutyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The IUPAC name of N-(2-benzylbutyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide (CID 43901298) is N-(2-benzylbutyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-benzylbutyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-benzylbutyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide is CCC(CNC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1)Cc1ccccc1.
What is the InChIKey of N-(2-benzylbutyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The InChIKey is PBDISXDJAGMVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3S2/c1-2-18(15-19-9-4-3-5-10-19)16-25-22(27)17-26(21-12-7-6-11-20(21)24)31(28,29)23-13-8-14-30-23/h3-14,18H,2,15-17H2,1H3,(H,25,27).
What are the key properties of N-(2-benzylbutyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
N-(2-benzylbutyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide has a molecular weight of 460.60 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylbutyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide is sourced from PubChem (CID 43901298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).