2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride

C15H24ClN3O4S — CID 120796053

IUPAC2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCNS(=O)(=O)c1cccc(NC(=O)C(N)C2CCOCC2)c1C.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-10-12(4-3-5-13(10)23(20,21)17-2)18-15(19)14(16)11-6-8-22-9-7-11;/h3-5,11,14,17H,6-9,16H2,1-2H3,(H,18,19);1H
InChIKeyUUDDCWKDLCUEOA-UHFFFAOYSA-N
MW377.89 g/mol
LogP1.02
Rot. Bonds5

About 2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120796053) has the molecular formula C15H24ClN3O4S and a molecular weight of 377.89 g/mol. Its IUPAC name is 2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120796053
Molecular FormulaC15H24ClN3O4S
Molecular Weight377.89 g/mol
Exact Mass377.12
IUPAC Name2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCNS(=O)(=O)c1cccc(NC(=O)C(N)C2CCOCC2)c1C.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-10-12(4-3-5-13(10)23(20,21)17-2)18-15(19)14(16)11-6-8-22-9-7-11;/h3-5,11,14,17H,6-9,16H2,1-2H3,(H,18,19);1H
InChIKeyUUDDCWKDLCUEOA-UHFFFAOYSA-N
XLogP1.02
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120786132
3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
CID 120502124
2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119815897
2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120795542
2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784349
2-amino-N-(2,3-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120785988
2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 120791678
2-amino-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791541
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
2-amino-N-(2,5-dimethylphenyl)-2-(oxan-4-yl)acetamide
CID 120782547
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
2-amino-2-(oxan-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 120783058

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120796053) is 2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride is CNS(=O)(=O)c1cccc(NC(=O)C(N)C2CCOCC2)c1C.Cl.
What is the InChIKey of 2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is UUDDCWKDLCUEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S.ClH/c1-10-12(4-3-5-13(10)23(20,21)17-2)18-15(19)14(16)11-6-8-22-9-7-11;/h3-5,11,14,17H,6-9,16H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 377.89 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120796053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).