N-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C16H17BrN2O4S2 — CID 2414996

IUPACN-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccccc1Br
InChIInChI=1S/C16H17BrN2O4S2/c17-13-3-1-2-4-14(13)18-15(20)11-12-5-6-16(24-12)25(21,22)19-7-9-23-10-8-19/h1-6H,7-11H2,(H,18,20)
InChIKeyJBKYKUBGIIPHML-UHFFFAOYSA-N
MW445.36 g/mol
LogP2.71
Rot. Bonds5

About N-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 2414996) has the molecular formula C16H17BrN2O4S2 and a molecular weight of 445.36 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID2414996
Molecular FormulaC16H17BrN2O4S2
Molecular Weight445.36 g/mol
Exact Mass443.98
IUPAC NameN-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccccc1Br
InChIInChI=1S/C16H17BrN2O4S2/c17-13-3-1-2-4-14(13)18-15(20)11-12-5-6-16(24-12)25(21,22)19-7-9-23-10-8-19/h1-6H,7-11H2,(H,18,20)
InChIKeyJBKYKUBGIIPHML-UHFFFAOYSA-N
XLogP2.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 2414996) is N-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is JBKYKUBGIIPHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S2/c17-13-3-1-2-4-14(13)18-15(20)11-12-5-6-16(24-12)25(21,22)19-7-9-23-10-8-19/h1-6H,7-11H2,(H,18,20).
What are the key properties of N-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 445.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 2414996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).