2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide

C20H23F2N3O3S — CID 42067264

IUPAC2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide
SMILESO=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C20H23F2N3O3S/c21-15-11-16(22)13-18(12-15)24-20(26)14-23-17-5-7-19(8-6-17)29(27,28)25-9-3-1-2-4-10-25/h5-8,11-13,23H,1-4,9-10,14H2,(H,24,26)
InChIKeyWVVLVFGLPNVVRP-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.58
Rot. Bonds6

About 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide

2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide (PubChem CID 42067264) has the molecular formula C20H23F2N3O3S and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide
PubChem CID42067264
Molecular FormulaC20H23F2N3O3S
Molecular Weight423.49 g/mol
Exact Mass423.14
IUPAC Name2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide
SMILESO=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C20H23F2N3O3S/c21-15-11-16(22)13-18(12-15)24-20(26)14-23-17-5-7-19(8-6-17)29(27,28)25-9-3-1-2-4-10-25/h5-8,11-13,23H,1-4,9-10,14H2,(H,24,26)
InChIKeyWVVLVFGLPNVVRP-UHFFFAOYSA-N
XLogP3.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083905
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
N-(2-chloro-4-fluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083656
N-(2-fluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083962
2-[4-(azepan-1-ylsulfonyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 31054392
2-(2-fluoro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9100939
3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 9415065
2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824126
2-(4-fluoroanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9098686
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 78828634
2-(4-bromoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4806473
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide
CID 24510831

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide (CID 42067264) is 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide is O=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide?
The InChIKey is WVVLVFGLPNVVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3S/c21-15-11-16(22)13-18(12-15)24-20(26)14-23-17-5-7-19(8-6-17)29(27,28)25-9-3-1-2-4-10-25/h5-8,11-13,23H,1-4,9-10,14H2,(H,24,26).
What are the key properties of 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide?
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide has a molecular weight of 423.49 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 42067264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).