N-(2-hydroxy-5-phenylphenyl)-4-[(thiophen-2-ylmethylamino)methyl]benzamide

C25H22N2O2S — CID 68725954

IUPACN-(2-hydroxy-5-phenylphenyl)-4-[(thiophen-2-ylmethylamino)methyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCc2cccs2)cc1
InChIInChI=1S/C25H22N2O2S/c28-24-13-12-21(19-5-2-1-3-6-19)15-23(24)27-25(29)20-10-8-18(9-11-20)16-26-17-22-7-4-14-30-22/h1-15,26,28H,16-17H2,(H,27,29)
InChIKeyKRLJONORBJUVOU-UHFFFAOYSA-N
MW414.53 g/mol
LogP5.66
Rot. Bonds7

About N-(2-hydroxy-5-phenylphenyl)-4-[(thiophen-2-ylmethylamino)methyl]benzamide

N-(2-hydroxy-5-phenylphenyl)-4-[(thiophen-2-ylmethylamino)methyl]benzamide (PubChem CID 68725954) has the molecular formula C25H22N2O2S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(2-hydroxy-5-phenylphenyl)-4-[(thiophen-2-ylmethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-phenylphenyl)-4-[(thiophen-2-ylmethylamino)methyl]benzamide
PubChem CID68725954
Molecular FormulaC25H22N2O2S
Molecular Weight414.53 g/mol
Exact Mass414.14
IUPAC NameN-(2-hydroxy-5-phenylphenyl)-4-[(thiophen-2-ylmethylamino)methyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCc2cccs2)cc1
InChIInChI=1S/C25H22N2O2S/c28-24-13-12-21(19-5-2-1-3-6-19)15-23(24)27-25(29)20-10-8-18(9-11-20)16-26-17-22-7-4-14-30-22/h1-15,26,28H,16-17H2,(H,27,29)
InChIKeyKRLJONORBJUVOU-UHFFFAOYSA-N
XLogP5.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-{[(3,4-dimethoxyphenyl)amino]methyl}-N-[2-hydroxy-5-(thiophen-2-yl)phenyl]benzamide
CID 23648266
N-(2-hydroxy-5-phenylphenyl)-4-{[(2-phenylethyl)amino]methyl}benzamide
CID 25158538
N-(2-hydroxy-5-phenylphenyl)-4-{[(2-methylpropyl)amino]methyl}benzamide
CID 25158540
N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155565438
N-(2-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 821304
N-[2-hydroxy-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]-2-phenylbenzamide
CID 11397211
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-hydroxyphenyl)thiophene-2-carboxamide
CID 59761462
cis-BG47
CID 136391459
Thiophene-2-carboxylic acid (4-hydroxy-biphenyl-3-yl)-amide
CID 44447120
N-(2-hydroxy-5-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 44454621
3-hydroxy-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzamide
CID 122194307
N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155526424

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[(thiophen-2-ylmethylamino)methyl]benzamide?
The IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[(thiophen-2-ylmethylamino)methyl]benzamide (CID 68725954) is N-(2-hydroxy-5-phenylphenyl)-4-[(thiophen-2-ylmethylamino)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-5-phenylphenyl)-4-[(thiophen-2-ylmethylamino)methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-5-phenylphenyl)-4-[(thiophen-2-ylmethylamino)methyl]benzamide is O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCc2cccs2)cc1.
What is the InChIKey of N-(2-hydroxy-5-phenylphenyl)-4-[(thiophen-2-ylmethylamino)methyl]benzamide?
The InChIKey is KRLJONORBJUVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2S/c28-24-13-12-21(19-5-2-1-3-6-19)15-23(24)27-25(29)20-10-8-18(9-11-20)16-26-17-22-7-4-14-30-22/h1-15,26,28H,16-17H2,(H,27,29).
What are the key properties of N-(2-hydroxy-5-phenylphenyl)-4-[(thiophen-2-ylmethylamino)methyl]benzamide?
N-(2-hydroxy-5-phenylphenyl)-4-[(thiophen-2-ylmethylamino)methyl]benzamide has a molecular weight of 414.53 g/mol, XLogP of 5.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-phenylphenyl)-4-[(thiophen-2-ylmethylamino)methyl]benzamide is sourced from PubChem (CID 68725954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).