N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide

C20H25N3O3S — CID 38282895

IUPACN-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCCCCC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-21-27(25,26)17-12-10-16(11-13-17)20(24)22-18-8-4-5-9-19(18)23-14-6-2-3-7-15-23/h4-5,8-13,21H,2-3,6-7,14-15H2,1H3,(H,22,24)
InChIKeyBGJNDXNQKMYKCJ-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.23
Rot. Bonds5

About N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide

N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide (PubChem CID 38282895) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide
PubChem CID38282895
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCCCCC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-21-27(25,26)17-12-10-16(11-13-17)20(24)22-18-8-4-5-9-19(18)23-14-6-2-3-7-15-23/h4-5,8-13,21H,2-3,6-7,14-15H2,1H3,(H,22,24)
InChIKeyBGJNDXNQKMYKCJ-UHFFFAOYSA-N
XLogP3.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 38282657
N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938
N-methyl-4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 17496437
4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 33314849
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide
CID 18267161
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16557461
4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 51263382
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557757
3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 2426815

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide?
The IUPAC name of N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide (CID 38282895) is N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCCCCC2)cc1.
What is the InChIKey of N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide?
The InChIKey is BGJNDXNQKMYKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-21-27(25,26)17-12-10-16(11-13-17)20(24)22-18-8-4-5-9-19(18)23-14-6-2-3-7-15-23/h4-5,8-13,21H,2-3,6-7,14-15H2,1H3,(H,22,24).
What are the key properties of N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide?
N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide has a molecular weight of 387.51 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide is sourced from PubChem (CID 38282895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).