N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide

C8H10BrNOS2 — CID 47250162

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCc1cc(Br)cs1
InChIInChI=1S/C8H10BrNOS2/c1-12-5-8(11)10-3-7-2-6(9)4-13-7/h2,4H,3,5H2,1H3,(H,10,11)
InChIKeyYRDIBFLYVPEMKO-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.49
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide

N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide (PubChem CID 47250162) has the molecular formula C8H10BrNOS2 and a molecular weight of 280.21 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide
PubChem CID47250162
Molecular FormulaC8H10BrNOS2
Molecular Weight280.21 g/mol
Exact Mass278.94
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCc1cc(Br)cs1
InChIInChI=1S/C8H10BrNOS2/c1-12-5-8(11)10-3-7-2-6(9)4-13-7/h2,4H,3,5H2,1H3,(H,10,11)
InChIKeyYRDIBFLYVPEMKO-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromothiophen-2-yl)methyl]-3-methylurea
CID 23548634
N-[(4-bromothiophen-2-yl)methyl]dodecanamide
CID 65426710
N-[(4-bromothiophen-2-yl)methyl]-2-pyrazol-1-ylacetamide
CID 47250379
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylbenzamide
CID 112729651
N-[(4-bromothiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242573
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 47250123
N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 47250397
N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-N-methylbenzamide
CID 55801945
N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide
CID 47250199
2-(1-adamantyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide
CID 112729654
2-(1-aminocyclopentyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide
CID 64676894
4-[(4-bromothiophen-2-yl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498514

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide (CID 47250162) is N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide is CSCC(=O)NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide?
The InChIKey is YRDIBFLYVPEMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS2/c1-12-5-8(11)10-3-7-2-6(9)4-13-7/h2,4H,3,5H2,1H3,(H,10,11).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide?
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide has a molecular weight of 280.21 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 47250162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).