2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide

C7H9ClN2OS — CID 116850381

IUPAC2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide
SMILESCNC(=O)C(N)c1ccc(Cl)s1
InChIInChI=1S/C7H9ClN2OS/c1-10-7(11)6(9)4-2-3-5(8)12-4/h2-3,6H,9H2,1H3,(H,10,11)
InChIKeyXFVWMMIQGLMSDQ-UHFFFAOYSA-N
MW204.68 g/mol
LogP1.15
Rot. Bonds2

About 2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide

2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide (PubChem CID 116850381) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is 2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide
PubChem CID116850381
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC Name2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide
SMILESCNC(=O)C(N)c1ccc(Cl)s1
InChIInChI=1S/C7H9ClN2OS/c1-10-7(11)6(9)4-2-3-5(8)12-4/h2-3,6H,9H2,1H3,(H,10,11)
InChIKeyXFVWMMIQGLMSDQ-UHFFFAOYSA-N
XLogP1.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(5-chlorothiophen-2-yl)-N',N'-dimethylacetohydrazide
CID 116849788
methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate
CID 12968026
(2R)-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylpropanamide
CID 103932076
(1R)-1-(5-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine
CID 166678249
3-(5-chlorothiophen-2-yl)-N,4-dimethylpentanamide
CID 82085991
(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide
CID 103928730
(2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide
CID 119324709
methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 43146898
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112
(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide
CID 93267274
2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709
3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide
CID 116848751

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide?
The IUPAC name of 2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide (CID 116850381) is 2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide?
The canonical SMILES for 2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide is CNC(=O)C(N)c1ccc(Cl)s1.
What is the InChIKey of 2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide?
The InChIKey is XFVWMMIQGLMSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c1-10-7(11)6(9)4-2-3-5(8)12-4/h2-3,6H,9H2,1H3,(H,10,11).
What are the key properties of 2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide?
2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide has a molecular weight of 204.68 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide is sourced from PubChem (CID 116850381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).