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

C16H26ClN3O4S — CID 120796605

IUPAC2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCCNS(=O)(=O)c1ccc(CNC(=O)C(N)C2CCOCC2)cc1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-2-19-24(21,22)14-5-3-12(4-6-14)11-18-16(20)15(17)13-7-9-23-10-8-13;/h3-6,13,15,19H,2,7-11,17H2,1H3,(H,18,20);1H
InChIKeySIBKYIOKBHYAFW-UHFFFAOYSA-N
MW391.92 g/mol
LogP0.78
Rot. Bonds7

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

2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120796605) has the molecular formula C16H26ClN3O4S and a molecular weight of 391.92 g/mol. Its IUPAC name is 2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120796605
Molecular FormulaC16H26ClN3O4S
Molecular Weight391.92 g/mol
Exact Mass391.13
IUPAC Name2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCCNS(=O)(=O)c1ccc(CNC(=O)C(N)C2CCOCC2)cc1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-2-19-24(21,22)14-5-3-12(4-6-14)11-18-16(20)15(17)13-7-9-23-10-8-13;/h3-6,13,15,19H,2,7-11,17H2,1H3,(H,18,20);1H
InChIKeySIBKYIOKBHYAFW-UHFFFAOYSA-N
XLogP0.78
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 120787166
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784359
2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797875
2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
CID 120786765
N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide
CID 120792716
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786627
2-amino-N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785705
2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 120786406
2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(oxan-4-yl)acetamide
CID 120785640
2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786149
2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786171

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120796605) is 2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride is CCNS(=O)(=O)c1ccc(CNC(=O)C(N)C2CCOCC2)cc1.Cl.
What is the InChIKey of 2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is SIBKYIOKBHYAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S.ClH/c1-2-19-24(21,22)14-5-3-12(4-6-14)11-18-16(20)15(17)13-7-9-23-10-8-13;/h3-6,13,15,19H,2,7-11,17H2,1H3,(H,18,20);1H.
What are the key properties of 2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 391.92 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120796605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).