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

C22H29N3O3S — CID 38282657

IUPACN-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCCCCC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-17(2)24-29(27,28)19-13-11-18(12-14-19)22(26)23-20-9-5-6-10-21(20)25-15-7-3-4-8-16-25/h5-6,9-14,17,24H,3-4,7-8,15-16H2,1-2H3,(H,23,26)
InChIKeyYHHZYAXTVPCYNA-UHFFFAOYSA-N
MW415.56 g/mol
LogP4.01
Rot. Bonds6

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

N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 38282657) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID38282657
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCCCCC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-17(2)24-29(27,28)19-13-11-18(12-14-19)22(26)23-20-9-5-6-10-21(20)25-15-7-3-4-8-16-25/h5-6,9-14,17,24H,3-4,7-8,15-16H2,1-2H3,(H,23,26)
InChIKeyYHHZYAXTVPCYNA-UHFFFAOYSA-N
XLogP4.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide
CID 38282895
4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 33314849
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
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
N-(2-fluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 24592548
N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 16592625
N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide
CID 18267161
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16557461
N-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 55363787

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide (CID 38282657) is N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCCCCC2)cc1.
What is the InChIKey of N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is YHHZYAXTVPCYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-17(2)24-29(27,28)19-13-11-18(12-14-19)22(26)23-20-9-5-6-10-21(20)25-15-7-3-4-8-16-25/h5-6,9-14,17,24H,3-4,7-8,15-16H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide?
N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 415.56 g/mol, XLogP of 4.01, 6 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-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 38282657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).