4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide

C18H29N3O4S — CID 120917638

IUPAC4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2(CN)CCOCC2)ccc1C
InChIInChI=1S/C18H29N3O4S/c1-4-21(5-2)26(23,24)16-12-15(7-6-14(16)3)20-17(22)18(13-19)8-10-25-11-9-18/h6-7,12H,4-5,8-11,13,19H2,1-3H3,(H,20,22)
InChIKeyZLAGZVQASQLOPX-UHFFFAOYSA-N
MW383.51 g/mol
LogP1.72
Rot. Bonds7

About 4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide

4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide (PubChem CID 120917638) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
PubChem CID120917638
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2(CN)CCOCC2)ccc1C
InChIInChI=1S/C18H29N3O4S/c1-4-21(5-2)26(23,24)16-12-15(7-6-14(16)3)20-17(22)18(13-19)8-10-25-11-9-18/h6-7,12H,4-5,8-11,13,19H2,1-3H3,(H,20,22)
InChIKeyZLAGZVQASQLOPX-UHFFFAOYSA-N
XLogP1.72
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide
CID 120919382
N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
CID 31973095
N-(3-acetamido-4-methylphenyl)-4-(aminomethyl)oxane-4-carboxamide
CID 120922553
4-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]oxane-4-carboxamide
CID 120934525
4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride
CID 120934587
7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
CID 119674944
4-(aminomethyl)-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]oxane-4-carboxamide
CID 120922745
2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 26521292
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxane-4-carboxamide
CID 107574152
4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide
CID 120926434
1-tert-butyl-3-[3-(diethylsulfamoyl)-4-methylphenyl]urea
CID 8002731

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide (CID 120917638) is 4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C2(CN)CCOCC2)ccc1C.
What is the InChIKey of 4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide?
The InChIKey is ZLAGZVQASQLOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-4-21(5-2)26(23,24)16-12-15(7-6-14(16)3)20-17(22)18(13-19)8-10-25-11-9-18/h6-7,12H,4-5,8-11,13,19H2,1-3H3,(H,20,22).
What are the key properties of 4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide has a molecular weight of 383.51 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide is sourced from PubChem (CID 120917638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).