2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide

C17H25N3O4S — CID 46457679

IUPAC2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCCCCC2=O)cc1C(N)=O
InChIInChI=1S/C17H25N3O4S/c1-13-7-8-14(12-15(13)17(18)22)25(23,24)19-9-5-11-20-10-4-2-3-6-16(20)21/h7-8,12,19H,2-6,9-11H2,1H3,(H2,18,22)
InChIKeyUXPQUSIZARHGNQ-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.16
Rot. Bonds7

About 2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide

2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide (PubChem CID 46457679) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide
PubChem CID46457679
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCCCCC2=O)cc1C(N)=O
InChIInChI=1S/C17H25N3O4S/c1-13-7-8-14(12-15(13)17(18)22)25(23,24)19-9-5-11-20-10-4-2-3-6-16(20)21/h7-8,12,19H,2-6,9-11H2,1H3,(H2,18,22)
InChIKeyUXPQUSIZARHGNQ-UHFFFAOYSA-N
XLogP1.16
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]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

2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
CID 119994544
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 30482085
2-methyl-5-[3-(propan-2-ylamino)propylsulfamoyl]benzamide
CID 43606850
4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide
CID 18227621
4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide
CID 39667448
N-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39667463
N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide
CID 51075115
3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide
CID 110722868
2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide
CID 53499321
3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2573541
4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 22204003
2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3439524

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide?
The IUPAC name of 2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide (CID 46457679) is 2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide.
What is the SMILES notation for 2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide?
The canonical SMILES for 2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide is Cc1ccc(S(=O)(=O)NCCCN2CCCCCC2=O)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide?
The InChIKey is UXPQUSIZARHGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-13-7-8-14(12-15(13)17(18)22)25(23,24)19-9-5-11-20-10-4-2-3-6-16(20)21/h7-8,12,19H,2-6,9-11H2,1H3,(H2,18,22).
What are the key properties of 2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide?
2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide has a molecular weight of 367.47 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide is sourced from PubChem (CID 46457679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).