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

C15H25N3O4S — CID 119527626

IUPACN-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
SMILESCC(C)OCCS(=O)(=O)NCC(=O)NCC(N)c1ccccc1
InChIInChI=1S/C15H25N3O4S/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)
InChIKeyBLBLTTYWAOCCRG-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.15
Rot. Bonds10

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

N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide (PubChem CID 119527626) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
PubChem CID119527626
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC NameN-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
SMILESCC(C)OCCS(=O)(=O)NCC(=O)NCC(N)c1ccccc1
InChIInChI=1S/C15H25N3O4S/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)
InChIKeyBLBLTTYWAOCCRG-UHFFFAOYSA-N
XLogP0.15
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.15
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;hydrochloride
CID 119527625
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
2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid
CID 119201955
N-(3-aminopropyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride
CID 119405243
4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]benzoic acid
CID 119177738
N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride
CID 119976159
N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide
CID 79593799
2-[3-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid
CID 119352057
N-(2-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride
CID 119527676
N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide
CID 80506787

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide (CID 119527626) is N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide is CC(C)OCCS(=O)(=O)NCC(=O)NCC(N)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide?
The InChIKey is BLBLTTYWAOCCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/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).
What are the key properties of N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide?
N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide has a molecular weight of 343.45 g/mol, XLogP of 0.15, 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 is sourced from PubChem (CID 119527626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).