4-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]oxane-4-carboxamide

C17H26FN3O4S — CID 120934525

IUPAC4-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]oxane-4-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(NC(=O)C2(CN)CCOCC2)ccc1F
InChIInChI=1S/C17H26FN3O4S/c1-16(2,3)21-26(23,24)14-10-12(4-5-13(14)18)20-15(22)17(11-19)6-8-25-9-7-17/h4-5,10,21H,6-9,11,19H2,1-3H3,(H,20,22)
InChIKeyOGLIFOFPMRWKMP-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.60
Rot. Bonds5

About 4-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]oxane-4-carboxamide

4-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]oxane-4-carboxamide (PubChem CID 120934525) has the molecular formula C17H26FN3O4S and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]oxane-4-carboxamide
PubChem CID120934525
Molecular FormulaC17H26FN3O4S
Molecular Weight387.48 g/mol
Exact Mass387.16
IUPAC Name4-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]oxane-4-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(NC(=O)C2(CN)CCOCC2)ccc1F
InChIInChI=1S/C17H26FN3O4S/c1-16(2,3)21-26(23,24)14-10-12(4-5-13(14)18)20-15(22)17(11-19)6-8-25-9-7-17/h4-5,10,21H,6-9,11,19H2,1-3H3,(H,20,22)
InChIKeyOGLIFOFPMRWKMP-UHFFFAOYSA-N
XLogP1.60
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide
CID 120919382
N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
CID 120921189
4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
CID 120917638
N-(3-acetamido-4-methylphenyl)-4-(aminomethyl)oxane-4-carboxamide
CID 120922553
4-(aminomethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120917692
4-(aminomethyl)-N-(4-iodophenyl)oxane-4-carboxamide
CID 113310082
4-(aminomethyl)-N-[4-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120920865
4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide
CID 120926434
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)oxane-4-carboxamide
CID 82867312
1-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 119265809
4-(aminomethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]oxane-4-carboxamide;hydrochloride
CID 120934021
4-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-chlorobenzoic acid
CID 115439486

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]oxane-4-carboxamide (CID 120934525) is 4-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]oxane-4-carboxamide is CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C2(CN)CCOCC2)ccc1F.
What is the InChIKey of 4-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]oxane-4-carboxamide?
The InChIKey is OGLIFOFPMRWKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O4S/c1-16(2,3)21-26(23,24)14-10-12(4-5-13(14)18)20-15(22)17(11-19)6-8-25-9-7-17/h4-5,10,21H,6-9,11,19H2,1-3H3,(H,20,22).
What are the key properties of 4-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]oxane-4-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]oxane-4-carboxamide is sourced from PubChem (CID 120934525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).