N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide

C18H14ClNO3S — CID 56581143

IUPACN-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1cccc(OCc2cccs2)c1
InChIInChI=1S/C18H14ClNO3S/c19-13-6-7-17(21)16(10-13)20-18(22)12-3-1-4-14(9-12)23-11-15-5-2-8-24-15/h1-10,21H,11H2,(H,20,22)
InChIKeyJGMFUTSHHCYNGR-UHFFFAOYSA-N
MW359.83 g/mol
LogP4.94
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide

N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide (PubChem CID 56581143) has the molecular formula C18H14ClNO3S and a molecular weight of 359.83 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide
PubChem CID56581143
Molecular FormulaC18H14ClNO3S
Molecular Weight359.83 g/mol
Exact Mass359.04
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1cccc(OCc2cccs2)c1
InChIInChI=1S/C18H14ClNO3S/c19-13-6-7-17(21)16(10-13)20-18(22)12-3-1-4-14(9-12)23-11-15-5-2-8-24-15/h1-10,21H,11H2,(H,20,22)
InChIKeyJGMFUTSHHCYNGR-UHFFFAOYSA-N
XLogP4.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 56581239
3-(thiophen-2-ylmethoxy)phenol
CID 43143563
N-(4-aminocyclohexyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 119478873
1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
N-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55879396
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone
CID 39896443
N-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide
CID 55674829
N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide
CID 55956042
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55804256
3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55670767
3-butoxy-N-(2,5-dichlorophenyl)benzamide
CID 4956542
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 49033817

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide (CID 56581143) is N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide is O=C(Nc1cc(Cl)ccc1O)c1cccc(OCc2cccs2)c1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide?
The InChIKey is JGMFUTSHHCYNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3S/c19-13-6-7-17(21)16(10-13)20-18(22)12-3-1-4-14(9-12)23-11-15-5-2-8-24-15/h1-10,21H,11H2,(H,20,22).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide?
N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide has a molecular weight of 359.83 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide is sourced from PubChem (CID 56581143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).