2-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-phenylacetamide

C16H25N3O4S — CID 119323946

IUPAC2-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-phenylacetamide
SMILESNC(C(=O)NCCS(=O)(=O)NCC1CCCCO1)c1ccccc1
InChIInChI=1S/C16H25N3O4S/c17-15(13-6-2-1-3-7-13)16(20)18-9-11-24(21,22)19-12-14-8-4-5-10-23-14/h1-3,6-7,14-15,19H,4-5,8-12,17H2,(H,18,20)
InChIKeyZVRNBMXTMRDTCH-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.29
Rot. Bonds8

About 2-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-phenylacetamide

2-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-phenylacetamide (PubChem CID 119323946) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-phenylacetamide
PubChem CID119323946
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-phenylacetamide
SMILESNC(C(=O)NCCS(=O)(=O)NCC1CCCCO1)c1ccccc1
InChIInChI=1S/C16H25N3O4S/c17-15(13-6-2-1-3-7-13)16(20)18-9-11-24(21,22)19-12-14-8-4-5-10-23-14/h1-3,6-7,14-15,19H,4-5,8-12,17H2,(H,18,20)
InChIKeyZVRNBMXTMRDTCH-UHFFFAOYSA-N
XLogP0.29
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111828096
2-methyl-1-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111828616
2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120668424
1-[(2-chlorophenyl)methyl]-2-methyl-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 111828177
2-amino-2-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pentanamide
CID 119784170
1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide
CID 62021688
2-amino-N-(2-ethylsulfonylethyl)-2-phenylacetamide
CID 113264121
3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119670098
2-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 111829973
2-amino-N-(2-cyclopentylethyl)-2-phenylacetamide;hydrochloride
CID 119289820
2-(2-methylprop-2-enyl)-1-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 111811166
N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119323923

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-phenylacetamide?
The IUPAC name of 2-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-phenylacetamide (CID 119323946) is 2-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-phenylacetamide?
The canonical SMILES for 2-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-phenylacetamide is NC(C(=O)NCCS(=O)(=O)NCC1CCCCO1)c1ccccc1.
What is the InChIKey of 2-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-phenylacetamide?
The InChIKey is ZVRNBMXTMRDTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c17-15(13-6-2-1-3-7-13)16(20)18-9-11-24(21,22)19-12-14-8-4-5-10-23-14/h1-3,6-7,14-15,19H,4-5,8-12,17H2,(H,18,20).
What are the key properties of 2-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-phenylacetamide?
2-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-phenylacetamide has a molecular weight of 355.46 g/mol, XLogP of 0.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 119323946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).