N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide

C20H18BrFN2O3S2 — CID 55955386

IUPACN-[2-(3-bromo-4-fluorophenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)NCCc1ccc(F)c(Br)c1
InChIInChI=1S/C20H18BrFN2O3S2/c21-17-12-15(5-8-18(17)22)9-10-23-19(25)13-14-3-6-16(7-4-14)24-29(26,27)20-2-1-11-28-20/h1-8,11-12,24H,9-10,13H2,(H,23,25)
InChIKeyZRWWWNGMTXSMHQ-UHFFFAOYSA-N
MW497.41 g/mol
LogP4.35
Rot. Bonds8

About N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide

N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide (PubChem CID 55955386) has the molecular formula C20H18BrFN2O3S2 and a molecular weight of 497.41 g/mol. Its IUPAC name is N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-bromo-4-fluorophenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
PubChem CID55955386
Molecular FormulaC20H18BrFN2O3S2
Molecular Weight497.41 g/mol
Exact Mass495.99
IUPAC NameN-[2-(3-bromo-4-fluorophenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)NCCc1ccc(F)c(Br)c1
InChIInChI=1S/C20H18BrFN2O3S2/c21-17-12-15(5-8-18(17)22)9-10-23-19(25)13-14-3-6-16(7-4-14)24-29(26,27)20-2-1-11-28-20/h1-8,11-12,24H,9-10,13H2,(H,23,25)
InChIKeyZRWWWNGMTXSMHQ-UHFFFAOYSA-N
XLogP4.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.41
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119408784
N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39266553
4-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119170907
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39625765
N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55569595
N-(3-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39191280
N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39267237
N-(3-propan-2-yloxypropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39397239
N-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55788608
N-[(4-cyanophenyl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 46591163
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55735081

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The IUPAC name of N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide (CID 55955386) is N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The canonical SMILES for N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide is O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)NCCc1ccc(F)c(Br)c1.
What is the InChIKey of N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The InChIKey is ZRWWWNGMTXSMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN2O3S2/c21-17-12-15(5-8-18(17)22)9-10-23-19(25)13-14-3-6-16(7-4-14)24-29(26,27)20-2-1-11-28-20/h1-8,11-12,24H,9-10,13H2,(H,23,25).
What are the key properties of N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide has a molecular weight of 497.41 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 55955386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).