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

C19H17FN2O3S2 — CID 55788608

IUPACN-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCCc1cccc(F)c1)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H17FN2O3S2/c20-16-6-1-4-14(12-16)9-10-21-19(23)15-5-2-7-17(13-15)22-27(24,25)18-8-3-11-26-18/h1-8,11-13,22H,9-10H2,(H,21,23)
InChIKeyMUUMHWOUCPEWJR-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.66
Rot. Bonds7

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

N-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 55788608) has the molecular formula C19H17FN2O3S2 and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID55788608
Molecular FormulaC19H17FN2O3S2
Molecular Weight404.49 g/mol
Exact Mass404.07
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCCc1cccc(F)c1)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H17FN2O3S2/c20-16-6-1-4-14(12-16)9-10-21-19(23)15-5-2-7-17(13-15)22-27(24,25)18-8-3-11-26-18/h1-8,11-13,22H,9-10H2,(H,21,23)
InChIKeyMUUMHWOUCPEWJR-UHFFFAOYSA-N
XLogP3.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786585
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78897097
N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119432119
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786642
N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 56543508
N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 120826976
N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46489998
N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119995200
N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492831
N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55909095
N-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55830367
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55790239

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide (CID 55788608) is N-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide is O=C(NCCc1cccc(F)c1)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is MUUMHWOUCPEWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S2/c20-16-6-1-4-14(12-16)9-10-21-19(23)15-5-2-7-17(13-15)22-27(24,25)18-8-3-11-26-18/h1-8,11-13,22H,9-10H2,(H,21,23).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
N-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 404.49 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 55788608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).