4-(aminomethyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]oxane-4-carboxamide;hydrochloride

C17H26ClN3O5S — CID 120921031

IUPAC4-(aminomethyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]oxane-4-carboxamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C17H25N3O5S.ClH/c1-24-15-5-4-13(26(22,23)20-12-2-3-12)10-14(15)19-16(21)17(11-18)6-8-25-9-7-17;/h4-5,10,12,20H,2-3,6-9,11,18H2,1H3,(H,19,21);1H
InChIKeyUURBTYXKWZEFEH-UHFFFAOYSA-N
MW419.93 g/mol
LogP1.25
Rot. Bonds7

About 4-(aminomethyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120921031) has the molecular formula C17H26ClN3O5S and a molecular weight of 419.93 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]oxane-4-carboxamide;hydrochloride
PubChem CID120921031
Molecular FormulaC17H26ClN3O5S
Molecular Weight419.93 g/mol
Exact Mass419.13
IUPAC Name4-(aminomethyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]oxane-4-carboxamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C17H25N3O5S.ClH/c1-24-15-5-4-13(26(22,23)20-12-2-3-12)10-14(15)19-16(21)17(11-18)6-8-25-9-7-17;/h4-5,10,12,20H,2-3,6-9,11,18H2,1H3,(H,19,21);1H
InChIKeyUURBTYXKWZEFEH-UHFFFAOYSA-N
XLogP1.25
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119277802
1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide
CID 119277803
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120619738
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-2-ylacetamide
CID 33159236
4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120936327
3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 33161073
4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide
CID 120926434
4-(aminomethyl)-N-(4-methoxy-3-pyridinyl)oxane-4-carboxamide
CID 120940433
4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride
CID 120922268
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-phenylpropanamide
CID 119949323

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]oxane-4-carboxamide;hydrochloride (CID 120921031) is 4-(aminomethyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]oxane-4-carboxamide;hydrochloride is COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1(CN)CCOCC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is UURBTYXKWZEFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S.ClH/c1-24-15-5-4-13(26(22,23)20-12-2-3-12)10-14(15)19-16(21)17(11-18)6-8-25-9-7-17;/h4-5,10,12,20H,2-3,6-9,11,18H2,1H3,(H,19,21);1H.
What are the key properties of 4-(aminomethyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 419.93 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120921031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).