2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide

C9H13BrN2OS — CID 102831548

IUPAC2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide
SMILESCNC(=O)CNCc1cc(Br)c(C)s1
InChIInChI=1S/C9H13BrN2OS/c1-6-8(10)3-7(14-6)4-12-5-9(13)11-2/h3,12H,4-5H2,1-2H3,(H,11,13)
InChIKeyDZIISSPNPZPSRF-UHFFFAOYSA-N
MW277.19 g/mol
LogP1.65
Rot. Bonds4

About 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide

2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide (PubChem CID 102831548) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide
PubChem CID102831548
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide
SMILESCNC(=O)CNCc1cc(Br)c(C)s1
InChIInChI=1S/C9H13BrN2OS/c1-6-8(10)3-7(14-6)4-12-5-9(13)11-2/h3,12H,4-5H2,1-2H3,(H,11,13)
InChIKeyDZIISSPNPZPSRF-UHFFFAOYSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Acetyl-4-[(5-bromo-2-thienyl)methyl]piperazine
CID 743462
3-[(4-Bromothiophen-2-yl)methyl-methylamino]propanamide
CID 45826392
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide hydrochloride
CID 91663076
2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 2113338
N1-methyl-N2-(thiophen-2-ylmethyl)oxalamide
CID 40805400
2-isocyano-N-(thiophen-2-ylmethyl)acetamide
CID 59099298
4-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 17218082
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide
CID 28710264
2-[[2-[(4-Bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 47364268
2-[[2-[(4-Bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide
CID 47364291
2-[Ethyl-[(5-methylthiophen-2-yl)methyl]amino]acetamide
CID 99824816
N-ethyl-N'-(2-thienylmethyl)ethanediamide
CID 2201350

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide (CID 102831548) is 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide is CNC(=O)CNCc1cc(Br)c(C)s1.
What is the InChIKey of 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide?
The InChIKey is DZIISSPNPZPSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-6-8(10)3-7(14-6)4-12-5-9(13)11-2/h3,12H,4-5H2,1-2H3,(H,11,13).
What are the key properties of 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide?
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide has a molecular weight of 277.19 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide is sourced from PubChem (CID 102831548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).