2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C14H20BrN3O2S — CID 47056100

IUPAC2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCN(CC(=O)NCC(=O)N1CCCC1)Cc1cc(Br)cs1
InChIInChI=1S/C14H20BrN3O2S/c1-17(8-12-6-11(15)10-21-12)9-13(19)16-7-14(20)18-4-2-3-5-18/h6,10H,2-5,7-9H2,1H3,(H,16,19)
InChIKeyBXENBBGGBDUWCM-UHFFFAOYSA-N
MW374.30 g/mol
LogP1.68
Rot. Bonds6

About 2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 47056100) has the molecular formula C14H20BrN3O2S and a molecular weight of 374.30 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID47056100
Molecular FormulaC14H20BrN3O2S
Molecular Weight374.30 g/mol
Exact Mass373.05
IUPAC Name2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCN(CC(=O)NCC(=O)N1CCCC1)Cc1cc(Br)cs1
InChIInChI=1S/C14H20BrN3O2S/c1-17(8-12-6-11(15)10-21-12)9-13(19)16-7-14(20)18-4-2-3-5-18/h6,10H,2-5,7-9H2,1H3,(H,16,19)
InChIKeyBXENBBGGBDUWCM-UHFFFAOYSA-N
XLogP1.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 47056100) is 2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is CN(CC(=O)NCC(=O)N1CCCC1)Cc1cc(Br)cs1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is BXENBBGGBDUWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2S/c1-17(8-12-6-11(15)10-21-12)9-13(19)16-7-14(20)18-4-2-3-5-18/h6,10H,2-5,7-9H2,1H3,(H,16,19).
What are the key properties of 2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 374.30 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 47056100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).