N-[4-[(2S)-3-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxypropoxy]phenyl]acetamide

C19H22N2O3S — CID 36923717

IUPACN-[4-[(2S)-3-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@@H](O)CN2CCSc3ccccc32)cc1
InChIInChI=1S/C19H22N2O3S/c1-14(22)20-15-6-8-17(9-7-15)24-13-16(23)12-21-10-11-25-19-5-3-2-4-18(19)21/h2-9,16,23H,10-13H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyIUMIEMGBOHRNAB-INIZCTEOSA-N
MW358.46 g/mol
LogP3.00
Rot. Bonds6

About N-[4-[(2S)-3-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxypropoxy]phenyl]acetamide

N-[4-[(2S)-3-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 36923717) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[4-[(2S)-3-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-3-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxypropoxy]phenyl]acetamide
PubChem CID36923717
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[4-[(2S)-3-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@@H](O)CN2CCSc3ccccc32)cc1
InChIInChI=1S/C19H22N2O3S/c1-14(22)20-15-6-8-17(9-7-15)24-13-16(23)12-21-10-11-25-19-5-3-2-4-18(19)21/h2-9,16,23H,10-13H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyIUMIEMGBOHRNAB-INIZCTEOSA-N
XLogP3.00
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride
CID 46863837
N-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]acetamide
CID 2962057
N-[4-[(2S)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 51422964
N-[4-[2-hydroxy-3-(2-phenylpyrrolidin-1-yl)propoxy]phenyl]acetamide
CID 55680120
N-[4-[(2R)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 36946736
N-[4-[(2R)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]phenyl]acetamide
CID 7125202
ethyl 4-[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 7126214
ethyl 4-[3-(4-acetamidophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate;hydrochloride
CID 44891568
N-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide
CID 51422944
N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide
CID 1095842
N-[4-[(2S)-3-(4-benzylpiperazine-1,4-diium-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 6966060
N-[4-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]phenyl]acetamide
CID 18552694

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-3-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(2S)-3-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxypropoxy]phenyl]acetamide (CID 36923717) is N-[4-[(2S)-3-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2S)-3-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(2S)-3-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccc(OC[C@@H](O)CN2CCSc3ccccc32)cc1.
What is the InChIKey of N-[4-[(2S)-3-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is IUMIEMGBOHRNAB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14(22)20-15-6-8-17(9-7-15)24-13-16(23)12-21-10-11-25-19-5-3-2-4-18(19)21/h2-9,16,23H,10-13H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of N-[4-[(2S)-3-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxypropoxy]phenyl]acetamide?
N-[4-[(2S)-3-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 358.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-3-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 36923717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).