N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride

C15H26ClN3O4S — CID 119527625

IUPACN-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride
SMILESCC(C)OCCS(=O)(=O)NCC(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C15H25N3O4S.ClH/c1-12(2)22-8-9-23(20,21)18-11-15(19)17-10-14(16)13-6-4-3-5-7-13;/h3-7,12,14,18H,8-11,16H2,1-2H3,(H,17,19);1H
InChIKeyNGRNEVLOXIPPEV-UHFFFAOYSA-N
MW379.91 g/mol
LogP0.57
Rot. Bonds10

About N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride

N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride (PubChem CID 119527625) has the molecular formula C15H26ClN3O4S and a molecular weight of 379.91 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride
PubChem CID119527625
Molecular FormulaC15H26ClN3O4S
Molecular Weight379.91 g/mol
Exact Mass379.13
IUPAC NameN-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride
SMILESCC(C)OCCS(=O)(=O)NCC(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C15H25N3O4S.ClH/c1-12(2)22-8-9-23(20,21)18-11-15(19)17-10-14(16)13-6-4-3-5-7-13;/h3-7,12,14,18H,8-11,16H2,1-2H3,(H,17,19);1H
InChIKeyNGRNEVLOXIPPEV-UHFFFAOYSA-N
XLogP0.57
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
CID 119527626
N-(2-amino-2-phenylethyl)-2-propan-2-yloxyacetamide;hydrochloride
CID 119529017
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
(2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid
CID 119238322
N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride
CID 119976159
2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid
CID 119201955
4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]benzoic acid
CID 119177738
N-(2-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride
CID 119527676
N-(2-amino-2-phenylethyl)-3,4-dimethylpentanamide;hydrochloride
CID 119529641
N-(2-amino-2-phenylethyl)-2-ethoxyacetamide;hydrochloride
CID 119528845
N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride
CID 119528731
N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide
CID 79593799

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride (CID 119527625) is N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride is CC(C)OCCS(=O)(=O)NCC(=O)NCC(N)c1ccccc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride?
The InChIKey is NGRNEVLOXIPPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S.ClH/c1-12(2)22-8-9-23(20,21)18-11-15(19)17-10-14(16)13-6-4-3-5-7-13;/h3-7,12,14,18H,8-11,16H2,1-2H3,(H,17,19);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride?
N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride has a molecular weight of 379.91 g/mol, XLogP of 0.57, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride is sourced from PubChem (CID 119527625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).