2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride

C14H22ClN3O4S — CID 120784349

IUPAC2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)C(N)C2CCOCC2)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-9-2-3-11(8-12(9)22(16,19)20)17-14(18)13(15)10-4-6-21-7-5-10;/h2-3,8,10,13H,4-7,15H2,1H3,(H,17,18)(H2,16,19,20);1H
InChIKeyFGZKSANRAIAUOP-UHFFFAOYSA-N
MW363.87 g/mol
LogP0.76
Rot. Bonds4

About 2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120784349) has the molecular formula C14H22ClN3O4S and a molecular weight of 363.87 g/mol. Its IUPAC name is 2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120784349
Molecular FormulaC14H22ClN3O4S
Molecular Weight363.87 g/mol
Exact Mass363.10
IUPAC Name2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)C(N)C2CCOCC2)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-9-2-3-11(8-12(9)22(16,19)20)17-14(18)13(15)10-4-6-21-7-5-10;/h2-3,8,10,13H,4-7,15H2,1H3,(H,17,18)(H2,16,19,20);1H
InChIKeyFGZKSANRAIAUOP-UHFFFAOYSA-N
XLogP0.76
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120783594
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788893
5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120792775
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
2-amino-N-[3-(tert-butylsulfamoylmethyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120789988
2-amino-N-(3,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120782962
N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785529
2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide
CID 120791756
2-amino-N-(2,5-dimethylphenyl)-2-(oxan-4-yl)acetamide
CID 120782547
N-(4-methyl-3-sulfamoylphenyl)morpholine-4-carboxamide
CID 78993692
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120785655

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride (CID 120784349) is 2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride is Cc1ccc(NC(=O)C(N)C2CCOCC2)cc1S(N)(=O)=O.Cl.
What is the InChIKey of 2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is FGZKSANRAIAUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S.ClH/c1-9-2-3-11(8-12(9)22(16,19)20)17-14(18)13(15)10-4-6-21-7-5-10;/h2-3,8,10,13H,4-7,15H2,1H3,(H,17,18)(H2,16,19,20);1H.
What are the key properties of 2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 363.87 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120784349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).