N-[2-(4-chlorophenyl)sulfanylethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

C19H17ClN2O2S2 — CID 26812896

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(NCCSc1ccc(Cl)cc1)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C19H17ClN2O2S2/c20-15-3-7-18(8-4-15)26-10-9-21-19(23)14-1-5-17(6-2-14)24-11-16-12-25-13-22-16/h1-8,12-13H,9-11H2,(H,21,23)
InChIKeyOHDMNVCSUOXNIJ-UHFFFAOYSA-N
MW404.94 g/mol
LogP4.90
Rot. Bonds8

About N-[2-(4-chlorophenyl)sulfanylethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-[2-(4-chlorophenyl)sulfanylethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 26812896) has the molecular formula C19H17ClN2O2S2 and a molecular weight of 404.94 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID26812896
Molecular FormulaC19H17ClN2O2S2
Molecular Weight404.94 g/mol
Exact Mass404.04
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(NCCSc1ccc(Cl)cc1)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C19H17ClN2O2S2/c20-15-3-7-18(8-4-15)26-10-9-21-19(23)14-1-5-17(6-2-14)24-11-16-12-25-13-22-16/h1-8,12-13H,9-11H2,(H,21,23)
InChIKeyOHDMNVCSUOXNIJ-UHFFFAOYSA-N
XLogP4.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.94
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-hydroxyethylsulfanyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 77078608
4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388432
N-[2-(3-fluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24550705
4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 35008943
2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
CID 26374064
4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide
CID 34998826
4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 18277019
N-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86847757
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86967193
4-ethoxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887685
N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 110000901
N-[2-(4-chlorophenyl)sulfanylethyl]-4-pyrazol-1-ylbenzamide
CID 9259084

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 26812896) is N-[2-(4-chlorophenyl)sulfanylethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is O=C(NCCSc1ccc(Cl)cc1)c1ccc(OCc2cscn2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is OHDMNVCSUOXNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S2/c20-15-3-7-18(8-4-15)26-10-9-21-19(23)14-1-5-17(6-2-14)24-11-16-12-25-13-22-16/h1-8,12-13H,9-11H2,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 404.94 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 26812896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).