N-[1-(4-bromophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C18H21BrN2O4S2 — CID 25162187

IUPACN-[1-(4-bromophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCC(NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O4S2/c1-13(14-2-4-15(19)5-3-14)20-17(22)12-16-6-7-18(26-16)27(23,24)21-8-10-25-11-9-21/h2-7,13H,8-12H2,1H3,(H,20,22)
InChIKeyWHYLNNNCQKACBQ-UHFFFAOYSA-N
MW473.41 g/mol
LogP2.95
Rot. Bonds6

About N-[1-(4-bromophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-[1-(4-bromophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 25162187) has the molecular formula C18H21BrN2O4S2 and a molecular weight of 473.41 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID25162187
Molecular FormulaC18H21BrN2O4S2
Molecular Weight473.41 g/mol
Exact Mass472.01
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCC(NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O4S2/c1-13(14-2-4-15(19)5-3-14)20-17(22)12-16-6-7-18(26-16)27(23,24)21-8-10-25-11-9-21/h2-7,13H,8-12H2,1H3,(H,20,22)
InChIKeyWHYLNNNCQKACBQ-UHFFFAOYSA-N
XLogP2.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 25162187) is N-[1-(4-bromophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is CC(NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is WHYLNNNCQKACBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S2/c1-13(14-2-4-15(19)5-3-14)20-17(22)12-16-6-7-18(26-16)27(23,24)21-8-10-25-11-9-21/h2-7,13H,8-12H2,1H3,(H,20,22).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-[1-(4-bromophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 473.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 25162187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).