N-benzyl-2-oxo-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen

C22H18N2O2S — CID 143886131

IUPACN-benzyl-2-oxo-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen
SMILESO=C(NCc1ccccc1)C(=O)c1nc2ccc(-c3ccccc3)cc2s1.[H][H]
InChIInChI=1S/C22H16N2O2S.H2/c25-20(21(26)23-14-15-7-3-1-4-8-15)22-24-18-12-11-17(13-19(18)27-22)16-9-5-2-6-10-16;/h1-13H,14H2,(H,23,26);1H
InChIKeyROXFDVTYVHQLAT-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.71
Rot. Bonds5

About N-benzyl-2-oxo-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen

N-benzyl-2-oxo-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen (PubChem CID 143886131) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-benzyl-2-oxo-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-benzyl-2-oxo-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen
PubChem CID143886131
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-benzyl-2-oxo-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen
SMILESO=C(NCc1ccccc1)C(=O)c1nc2ccc(-c3ccccc3)cc2s1.[H][H]
InChIInChI=1S/C22H16N2O2S.H2/c25-20(21(26)23-14-15-7-3-1-4-8-15)22-24-18-12-11-17(13-19(18)27-22)16-9-5-2-6-10-16;/h1-13H,14H2,(H,23,26);1H
InChIKeyROXFDVTYVHQLAT-UHFFFAOYSA-N
XLogP4.71
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzothiazol-2-yl)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143886097
N-[(4-methoxyphenyl)methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470194
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470353
2-(6-phenyl-1,3-benzothiazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 58470275
1-ethyl-3-(6-phenyl-1,3-benzothiazol-2-yl)urea
CID 71655663
2-[3-[[[2-(6-phenyl-1,3-benzothiazol-2-yl)acetyl]amino]methyl]phenoxy]acetic acid
CID 58470538
2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide
CID 58470188
N-benzyl-6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxamide
CID 141486523
(5-ethyl-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone
CID 144589062
2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 58470043
N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide
CID 3154693
N-benzyl-6-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 102448175

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-oxo-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen?
The IUPAC name of N-benzyl-2-oxo-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen (CID 143886131) is N-benzyl-2-oxo-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen.
What is the SMILES notation for N-benzyl-2-oxo-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen?
The canonical SMILES for N-benzyl-2-oxo-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen is O=C(NCc1ccccc1)C(=O)c1nc2ccc(-c3ccccc3)cc2s1.[H][H].
What is the InChIKey of N-benzyl-2-oxo-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen?
The InChIKey is ROXFDVTYVHQLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2S.H2/c25-20(21(26)23-14-15-7-3-1-4-8-15)22-24-18-12-11-17(13-19(18)27-22)16-9-5-2-6-10-16;/h1-13H,14H2,(H,23,26);1H.
What are the key properties of N-benzyl-2-oxo-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen?
N-benzyl-2-oxo-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen has a molecular weight of 374.47 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-oxo-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen is sourced from PubChem (CID 143886131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).