4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide

C22H28N2O4S — CID 8960788

IUPAC4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-23(17-18-28-20-9-5-4-6-10-20)22(25)19-11-13-21(14-12-19)29(26,27)24-15-7-2-3-8-16-24/h4-6,9-14H,2-3,7-8,15-18H2,1H3
InChIKeyJMDZIRMXLSBLEH-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.40
Rot. Bonds7

About 4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide

4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide (PubChem CID 8960788) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
PubChem CID8960788
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-23(17-18-28-20-9-5-4-6-10-20)22(25)19-11-13-21(14-12-19)29(26,27)24-15-7-2-3-8-16-24/h4-6,9-14H,2-3,7-8,15-18H2,1H3
InChIKeyJMDZIRMXLSBLEH-UHFFFAOYSA-N
XLogP3.40
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(3-phenoxypropyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 38580276
3-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 31213484
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-piperidin-1-ylsulfonylbenzamide
CID 24551180
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9246729
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26960301
1-(4-chlorophenyl)sulfonyl-N-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 2470101
N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
CID 31285060
N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 27447023
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 26994062
N-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973673
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 2455724
4-(azepan-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 31645452

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide (CID 8960788) is 4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide is CN(CCOc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide?
The InChIKey is JMDZIRMXLSBLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-23(17-18-28-20-9-5-4-6-10-20)22(25)19-11-13-21(14-12-19)29(26,27)24-15-7-2-3-8-16-24/h4-6,9-14H,2-3,7-8,15-18H2,1H3.
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide?
4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide has a molecular weight of 416.54 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 8960788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).