N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C20H19FN2O3S2 — CID 9427630

IUPACN-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCCc1ccc(F)cc1)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C20H19FN2O3S2/c21-17-8-6-15(7-9-17)10-11-22-20(24)16-3-1-5-19(13-16)28(25,26)23-14-18-4-2-12-27-18/h1-9,12-13,23H,10-11,14H2,(H,22,24)
InChIKeyJUJMTEIELLZRCB-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.34
Rot. Bonds8

About N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 9427630) has the molecular formula C20H19FN2O3S2 and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID9427630
Molecular FormulaC20H19FN2O3S2
Molecular Weight418.52 g/mol
Exact Mass418.08
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCCc1ccc(F)cc1)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C20H19FN2O3S2/c21-17-8-6-15(7-9-17)10-11-22-20(24)16-3-1-5-19(13-16)28(25,26)23-14-18-4-2-12-27-18/h1-9,12-13,23H,10-11,14H2,(H,22,24)
InChIKeyJUJMTEIELLZRCB-UHFFFAOYSA-N
XLogP3.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 31282087
3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770474
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55707237
N-[2-(4-fluorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
CID 109062677
N-[2-[di(propan-2-yl)amino]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 30480977
N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26444819
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427533
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 120946825
N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60518879
N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120829635

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 9427630) is N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is O=C(NCCc1ccc(F)cc1)c1cccc(S(=O)(=O)NCc2cccs2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is JUJMTEIELLZRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S2/c21-17-8-6-15(7-9-17)10-11-22-20(24)16-3-1-5-19(13-16)28(25,26)23-14-18-4-2-12-27-18/h1-9,12-13,23H,10-11,14H2,(H,22,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 418.52 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 9427630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).