2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide

C13H19BrN2OS — CID 115272124

IUPAC2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
SMILESCNCC1(CNC(=O)Cc2cc(Br)cs2)CCC1
InChIInChI=1S/C13H19BrN2OS/c1-15-8-13(3-2-4-13)9-16-12(17)6-11-5-10(14)7-18-11/h5,7,15H,2-4,6,8-9H2,1H3,(H,16,17)
InChIKeyXUYSLQFIPITLEH-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.56
Rot. Bonds6

About 2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide

2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide (PubChem CID 115272124) has the molecular formula C13H19BrN2OS and a molecular weight of 331.28 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
PubChem CID115272124
Molecular FormulaC13H19BrN2OS
Molecular Weight331.28 g/mol
Exact Mass330.04
IUPAC Name2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
SMILESCNCC1(CNC(=O)Cc2cc(Br)cs2)CCC1
InChIInChI=1S/C13H19BrN2OS/c1-15-8-13(3-2-4-13)9-16-12(17)6-11-5-10(14)7-18-11/h5,7,15H,2-4,6,8-9H2,1H3,(H,16,17)
InChIKeyXUYSLQFIPITLEH-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115267561
4-bromo-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophen-2-amine
CID 115246053
3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide
CID 115272142
2-(3-fluorophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115267551
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183743
2-[1-[[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81156334
2-[[2-(4-bromothiophen-2-yl)acetyl]amino]acetic acid
CID 82307146
2-(4-bromothiophen-2-yl)-N-butylacetamide
CID 110769883
N-[(4-bromothiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242573
1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one
CID 116553807
2-(4-bromothiophen-2-yl)-N-cyclopentylacetamide
CID 110769887
2-(4-bromothiophen-2-yl)-N-iodoacetamide
CID 170238076

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide (CID 115272124) is 2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide is CNCC1(CNC(=O)Cc2cc(Br)cs2)CCC1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide?
The InChIKey is XUYSLQFIPITLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS/c1-15-8-13(3-2-4-13)9-16-12(17)6-11-5-10(14)7-18-11/h5,7,15H,2-4,6,8-9H2,1H3,(H,16,17).
What are the key properties of 2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide?
2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide has a molecular weight of 331.28 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide is sourced from PubChem (CID 115272124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).