2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride

C17H28ClN3O4S — CID 120789057

IUPAC2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(NC(=O)C(N)C1CCOCC1)c1ccc(S(=O)(=O)N(C)C)cc1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-12(19-17(21)16(18)14-8-10-24-11-9-14)13-4-6-15(7-5-13)25(22,23)20(2)3;/h4-7,12,14,16H,8-11,18H2,1-3H3,(H,19,21);1H
InChIKeyNBUDEGHREVNLEH-UHFFFAOYSA-N
MW405.95 g/mol
LogP1.29
Rot. Bonds6

About 2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120789057) has the molecular formula C17H28ClN3O4S and a molecular weight of 405.95 g/mol. Its IUPAC name is 2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120789057
Molecular FormulaC17H28ClN3O4S
Molecular Weight405.95 g/mol
Exact Mass405.15
IUPAC Name2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(NC(=O)C(N)C1CCOCC1)c1ccc(S(=O)(=O)N(C)C)cc1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-12(19-17(21)16(18)14-8-10-24-11-9-14)13-4-6-15(7-5-13)25(22,23)20(2)3;/h4-7,12,14,16H,8-11,18H2,1-3H3,(H,19,21);1H
InChIKeyNBUDEGHREVNLEH-UHFFFAOYSA-N
XLogP1.29
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 120785883
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784097
2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792135
2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-(oxan-4-yl)acetamide
CID 120788514
2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenyl)acetamide
CID 120667680
3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119741190
2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784075
2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784279
2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 120784158
2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120785294
1-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119299101
2-amino-N-(1-naphthalen-1-ylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784151

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120789057) is 2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride is CC(NC(=O)C(N)C1CCOCC1)c1ccc(S(=O)(=O)N(C)C)cc1.Cl.
What is the InChIKey of 2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is NBUDEGHREVNLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S.ClH/c1-12(19-17(21)16(18)14-8-10-24-11-9-14)13-4-6-15(7-5-13)25(22,23)20(2)3;/h4-7,12,14,16H,8-11,18H2,1-3H3,(H,19,21);1H.
What are the key properties of 2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 405.95 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120789057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).