4-(2-methoxyacetyl)-N-[3-(methylsulfamoyl)phenyl]-1,4-diazepane-1-carboxamide

C16H24N4O5S — CID 74230813

IUPAC4-(2-methoxyacetyl)-N-[3-(methylsulfamoyl)phenyl]-1,4-diazepane-1-carboxamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)N2CCCN(C(=O)COC)CC2)c1
InChIInChI=1S/C16H24N4O5S/c1-17-26(23,24)14-6-3-5-13(11-14)18-16(22)20-8-4-7-19(9-10-20)15(21)12-25-2/h3,5-6,11,17H,4,7-10,12H2,1-2H3,(H,18,22)
InChIKeyQMGAEWGNLITNRS-UHFFFAOYSA-N
MW384.46 g/mol
LogP0.31
Rot. Bonds5

About 4-(2-methoxyacetyl)-N-[3-(methylsulfamoyl)phenyl]-1,4-diazepane-1-carboxamide

4-(2-methoxyacetyl)-N-[3-(methylsulfamoyl)phenyl]-1,4-diazepane-1-carboxamide (PubChem CID 74230813) has the molecular formula C16H24N4O5S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-(2-methoxyacetyl)-N-[3-(methylsulfamoyl)phenyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyacetyl)-N-[3-(methylsulfamoyl)phenyl]-1,4-diazepane-1-carboxamide
PubChem CID74230813
Molecular FormulaC16H24N4O5S
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC Name4-(2-methoxyacetyl)-N-[3-(methylsulfamoyl)phenyl]-1,4-diazepane-1-carboxamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)N2CCCN(C(=O)COC)CC2)c1
InChIInChI=1S/C16H24N4O5S/c1-17-26(23,24)14-6-3-5-13(11-14)18-16(22)20-8-4-7-19(9-10-20)15(21)12-25-2/h3,5-6,11,17H,4,7-10,12H2,1-2H3,(H,18,22)
InChIKeyQMGAEWGNLITNRS-UHFFFAOYSA-N
XLogP0.31
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-methoxyacetyl)-N-[3-(methylsulfamoyl)phenyl]-1,4-diazepane-1-carboxamide 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-methoxy-N-[3-(methylsulfamoyl)phenyl]acetamide
CID 47175857
N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide
CID 115581934
methyl 3-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoate
CID 154873717
N-[[3-(methylsulfamoyl)phenyl]methyl]azepane-1-carboxamide
CID 51084559
N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide
CID 95189601
N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide
CID 61251053
N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61321561
methyl 3-(pyrrolidine-1-carbonylamino)benzoate
CID 39732853
N-phenyl-4-(2-phenylacetyl)-1,4-diazepane-1-carboxamide
CID 110811558
1-amino-N-[3-(methylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119293957
1-[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone
CID 61109396
N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 112725657

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyacetyl)-N-[3-(methylsulfamoyl)phenyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(2-methoxyacetyl)-N-[3-(methylsulfamoyl)phenyl]-1,4-diazepane-1-carboxamide (CID 74230813) is 4-(2-methoxyacetyl)-N-[3-(methylsulfamoyl)phenyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyacetyl)-N-[3-(methylsulfamoyl)phenyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(2-methoxyacetyl)-N-[3-(methylsulfamoyl)phenyl]-1,4-diazepane-1-carboxamide is CNS(=O)(=O)c1cccc(NC(=O)N2CCCN(C(=O)COC)CC2)c1.
What is the InChIKey of 4-(2-methoxyacetyl)-N-[3-(methylsulfamoyl)phenyl]-1,4-diazepane-1-carboxamide?
The InChIKey is QMGAEWGNLITNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5S/c1-17-26(23,24)14-6-3-5-13(11-14)18-16(22)20-8-4-7-19(9-10-20)15(21)12-25-2/h3,5-6,11,17H,4,7-10,12H2,1-2H3,(H,18,22).
What are the key properties of 4-(2-methoxyacetyl)-N-[3-(methylsulfamoyl)phenyl]-1,4-diazepane-1-carboxamide?
4-(2-methoxyacetyl)-N-[3-(methylsulfamoyl)phenyl]-1,4-diazepane-1-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyacetyl)-N-[3-(methylsulfamoyl)phenyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 74230813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).