N-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide

C22H27N3O4S — CID 16553147

IUPACN-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CNc1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C22H27N3O4S/c1-17(26)20-11-4-5-12-21(20)24-22(27)16-23-18-9-8-10-19(15-18)30(28,29)25-13-6-2-3-7-14-25/h4-5,8-12,15,23H,2-3,6-7,13-14,16H2,1H3,(H,24,27)
InChIKeyAPMKSCPQVOMDHX-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.50
Rot. Bonds7

About N-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide

N-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide (PubChem CID 16553147) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide
PubChem CID16553147
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CNc1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C22H27N3O4S/c1-17(26)20-11-4-5-12-21(20)24-22(27)16-23-18-9-8-10-19(15-18)30(28,29)25-13-6-2-3-7-14-25/h4-5,8-12,15,23H,2-3,6-7,13-14,16H2,1H3,(H,24,27)
InChIKeyAPMKSCPQVOMDHX-UHFFFAOYSA-N
XLogP3.50
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide
CID 25394504
2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9098739
N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083438
N-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083492
N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083457
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 16553103
N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 42996600
2-[3-(azepan-1-ylsulfonyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 42996635
2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-pyridinyl)acetamide
CID 78782231
2-[3-(azepan-1-ylsulfonyl)anilino]-N-[(1S)-1-phenylethyl]acetamide
CID 9101152
N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083464
2-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46797807

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide (CID 16553147) is N-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide is CC(=O)c1ccccc1NC(=O)CNc1cccc(S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of N-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide?
The InChIKey is APMKSCPQVOMDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-17(26)20-11-4-5-12-21(20)24-22(27)16-23-18-9-8-10-19(15-18)30(28,29)25-13-6-2-3-7-14-25/h4-5,8-12,15,23H,2-3,6-7,13-14,16H2,1H3,(H,24,27).
What are the key properties of N-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide?
N-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide has a molecular weight of 429.54 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide is sourced from PubChem (CID 16553147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).