N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide

C20H24N2O3S — CID 4785250

IUPACN-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C20H24N2O3S/c23-20(15-17-9-4-3-5-10-17)21-18-11-8-12-19(16-18)26(24,25)22-13-6-1-2-7-14-22/h3-5,8-12,16H,1-2,6-7,13-15H2,(H,21,23)
InChIKeyAFJMRSSUQBLLOZ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.43
Rot. Bonds5

About N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide

N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide (PubChem CID 4785250) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
PubChem CID4785250
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C20H24N2O3S/c23-20(15-17-9-4-3-5-10-17)21-18-11-8-12-19(16-18)26(24,25)22-13-6-1-2-7-14-22/h3-5,8-12,16H,1-2,6-7,13-15H2,(H,21,23)
InChIKeyAFJMRSSUQBLLOZ-UHFFFAOYSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7377209
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CID 7926207
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8614711
N-(3-ethylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7935127
N-(3-chlorophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7900052
2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8894737
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylpropanoate
CID 7654688
N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 42996600
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
(3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 7926305

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide (CID 4785250) is N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide?
The InChIKey is AFJMRSSUQBLLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-20(15-17-9-4-3-5-10-17)21-18-11-8-12-19(16-18)26(24,25)22-13-6-1-2-7-14-22/h3-5,8-12,16H,1-2,6-7,13-15H2,(H,21,23).
What are the key properties of N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide?
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide has a molecular weight of 372.49 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 4785250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).