4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide

C16H25N3O5S — CID 120926434

IUPAC4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2(CN)CCOCC2)cc1OC
InChIInChI=1S/C16H25N3O5S/c1-3-25(21,22)19-13-5-4-12(10-14(13)23-2)18-15(20)16(11-17)6-8-24-9-7-16/h4-5,10,19H,3,6-9,11,17H2,1-2H3,(H,18,20)
InChIKeyUQIQAJBKZBCPND-UHFFFAOYSA-N
MW371.46 g/mol
LogP1.15
Rot. Bonds7

About 4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide

4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide (PubChem CID 120926434) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide
PubChem CID120926434
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC Name4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2(CN)CCOCC2)cc1OC
InChIInChI=1S/C16H25N3O5S/c1-3-25(21,22)19-13-5-4-12(10-14(13)23-2)18-15(20)16(11-17)6-8-24-9-7-16/h4-5,10,19H,3,6-9,11,17H2,1-2H3,(H,18,20)
InChIKeyUQIQAJBKZBCPND-UHFFFAOYSA-N
XLogP1.15
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)oxane-4-carboxamide
CID 82867312
4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide
CID 120920350
4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide
CID 120919382
1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 115452599
4-(aminomethyl)-N-(4-methoxy-3-pyridinyl)oxane-4-carboxamide
CID 120940433
4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120917475
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide
CID 55983561
N-(3-acetamido-4-methylphenyl)-4-(aminomethyl)oxane-4-carboxamide
CID 120922553
4-(aminomethyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]oxane-4-carboxamide;hydrochloride
CID 120921031
4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120936327
4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride
CID 120922268
N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
CID 120921189

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide (CID 120926434) is 4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide is CCS(=O)(=O)Nc1ccc(NC(=O)C2(CN)CCOCC2)cc1OC.
What is the InChIKey of 4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide?
The InChIKey is UQIQAJBKZBCPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-3-25(21,22)19-13-5-4-12(10-14(13)23-2)18-15(20)16(11-17)6-8-24-9-7-16/h4-5,10,19H,3,6-9,11,17H2,1-2H3,(H,18,20).
What are the key properties of 4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide is sourced from PubChem (CID 120926434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).