N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride

C16H26ClN3O5S — CID 120507324

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
SMILESCOc1ccc(CC(=O)N[C@@H](C)CN)cc1S(=O)(=O)N1CCOCC1.Cl
InChIInChI=1S/C16H25N3O5S.ClH/c1-12(11-17)18-16(20)10-13-3-4-14(23-2)15(9-13)25(21,22)19-5-7-24-8-6-19;/h3-4,9,12H,5-8,10-11,17H2,1-2H3,(H,18,20);1H/t12-;/m0./s1
InChIKeyLXXPZTKWICPZBU-YDALLXLXSA-N
MW407.92 g/mol
LogP0.14
Rot. Bonds7

About N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride (PubChem CID 120507324) has the molecular formula C16H26ClN3O5S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
PubChem CID120507324
Molecular FormulaC16H26ClN3O5S
Molecular Weight407.92 g/mol
Exact Mass407.13
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
SMILESCOc1ccc(CC(=O)N[C@@H](C)CN)cc1S(=O)(=O)N1CCOCC1.Cl
InChIInChI=1S/C16H25N3O5S.ClH/c1-12(11-17)18-16(20)10-13-3-4-14(23-2)15(9-13)25(21,22)19-5-7-24-8-6-19;/h3-4,9,12H,5-8,10-11,17H2,1-2H3,(H,18,20);1H/t12-;/m0./s1
InChIKeyLXXPZTKWICPZBU-YDALLXLXSA-N
XLogP0.14
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119630260
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide
CID 35017947
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453904
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119433834
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide
CID 4847004
(4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate
CID 7213290
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
N-(3-bromophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 29169210
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4853205
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 27898430
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 24979442

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride (CID 120507324) is N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride is COc1ccc(CC(=O)N[C@@H](C)CN)cc1S(=O)(=O)N1CCOCC1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride?
The InChIKey is LXXPZTKWICPZBU-YDALLXLXSA-N. The full InChI is InChI=1S/C16H25N3O5S.ClH/c1-12(11-17)18-16(20)10-13-3-4-14(23-2)15(9-13)25(21,22)19-5-7-24-8-6-19;/h3-4,9,12H,5-8,10-11,17H2,1-2H3,(H,18,20);1H/t12-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride has a molecular weight of 407.92 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120507324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).