N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyphenoxy)acetamide

C21H26N2O5S — CID 1013010

IUPACN-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C21H26N2O5S/c1-27-19-8-4-5-9-20(19)28-16-21(24)22-17-10-12-18(13-11-17)29(25,26)23-14-6-2-3-7-15-23/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,22,24)
InChIKeyZCSVXDHEZBOTCK-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.28
Rot. Bonds7

About N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyphenoxy)acetamide

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 1013010) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID1013010
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C21H26N2O5S/c1-27-19-8-4-5-9-20(19)28-16-21(24)22-17-10-12-18(13-11-17)29(25,26)23-14-6-2-3-7-15-23/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,22,24)
InChIKeyZCSVXDHEZBOTCK-UHFFFAOYSA-N
XLogP3.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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N-[4-(aminosulfonyl)phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 1193007
[2-Oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate
CID 3875813
4-(2-oxo-1-pyrrolidinyl)-N-(2-phenoxyethyl)benzenesulfonamide
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N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]acetamide
CID 736378
2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1144627
N-(4-(Aminosulfonyl)phenyl)-2-(4-fluorophenoxy)acetamide
CID 716578
N-(2-fluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6457540
2-(4-Methoxy-phenoxy)-N-[4-(morpholine-4-sulfonyl)-phenyl]-acetamide
CID 646975
N-[4-(morpholin-4-ylsulfonyl)phenyl]-4-phenoxybutanamide
CID 650732
2-Phenoxy-N-{4-[(tetrahydro-furan-2-ylmethyl)-sulfamoyl]-phenyl}-butyramide
CID 651178
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide
CID 893707

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyphenoxy)acetamide (CID 1013010) is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is ZCSVXDHEZBOTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-27-19-8-4-5-9-20(19)28-16-21(24)22-17-10-12-18(13-11-17)29(25,26)23-14-6-2-3-7-15-23/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,22,24).
What are the key properties of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyphenoxy)acetamide?
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 418.52 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 1013010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).