2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C18H20BrN3O2S — CID 41374088

IUPAC2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccc(Br)s1
InChIInChI=1S/C18H20BrN3O2S/c1-21(11-13-8-9-16(19)25-13)12-17(23)20-14-5-2-3-6-15(14)22-10-4-7-18(22)24/h2-3,5-6,8-9H,4,7,10-12H2,1H3,(H,20,23)
InChIKeyMVYBPRZHGNSDIR-UHFFFAOYSA-N
MW422.35 g/mol
LogP3.71
Rot. Bonds6

About 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 41374088) has the molecular formula C18H20BrN3O2S and a molecular weight of 422.35 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID41374088
Molecular FormulaC18H20BrN3O2S
Molecular Weight422.35 g/mol
Exact Mass421.05
IUPAC Name2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccc(Br)s1
InChIInChI=1S/C18H20BrN3O2S/c1-21(11-13-8-9-16(19)25-13)12-17(23)20-14-5-2-3-6-15(14)22-10-4-7-18(22)24/h2-3,5-6,8-9H,4,7,10-12H2,1H3,(H,20,23)
InChIKeyMVYBPRZHGNSDIR-UHFFFAOYSA-N
XLogP3.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 41374088) is 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CN(CC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is MVYBPRZHGNSDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2S/c1-21(11-13-8-9-16(19)25-13)12-17(23)20-14-5-2-3-6-15(14)22-10-4-7-18(22)24/h2-3,5-6,8-9H,4,7,10-12H2,1H3,(H,20,23).
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 422.35 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 41374088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).