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

C8H11ClN2OS — CID 115152275

IUPAC2-amino-N-(5-chlorothiophen-2-yl)-N-methylpropanamide
SMILESCC(N)C(=O)N(C)c1ccc(Cl)s1
InChIInChI=1S/C8H11ClN2OS/c1-5(10)8(12)11(2)7-4-3-6(9)13-7/h3-5H,10H2,1-2H3
InChIKeyIJADUFYKFFMZOO-UHFFFAOYSA-N
MW218.71 g/mol
LogP1.71
Rot. Bonds2

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

2-amino-N-(5-chlorothiophen-2-yl)-N-methylpropanamide (PubChem CID 115152275) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is 2-amino-N-(5-chlorothiophen-2-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(5-chlorothiophen-2-yl)-N-methylpropanamide
PubChem CID115152275
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name2-amino-N-(5-chlorothiophen-2-yl)-N-methylpropanamide
SMILESCC(N)C(=O)N(C)c1ccc(Cl)s1
InChIInChI=1S/C8H11ClN2OS/c1-5(10)8(12)11(2)7-4-3-6(9)13-7/h3-5H,10H2,1-2H3
InChIKeyIJADUFYKFFMZOO-UHFFFAOYSA-N
XLogP1.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-Chlorothiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one
CID 115101440
1-(5-Chlorothiophen-2-yl)-2-(trifluoromethyl)-1,4-diazepan-5-one
CID 115101570
2-[acetyl(thiophen-2-yl)amino]-N-ethylpropanamide
CID 19602467
1-(5-Chloro-4-methylthiophen-2-yl)-3-(methylamino)pyrrolidin-2-one
CID 53652345
1-(5-Chlorothiophen-2-yl)-3-(methylamino)pyrrolidin-2-one
CID 53767482
1-(5-Chlorothiophen-2-yl)pyrrolidin-2-one
CID 54248342
(3R)-1-(5-chlorothiophen-2-yl)-3-methylpiperazine
CID 67333182
1-(5-Chlorothiophen-2-yl)-3-methylpiperazine
CID 69379428
N'-(5-chlorothiophen-2-yl)oxamide
CID 115191529
2-[(5-Chlorothiophen-2-yl)amino]acetamide
CID 115259703
1-(5-Chlorothiophen-2-yl)-5-methylpyrrolidin-2-one
CID 117884742
2-[Carbamoyl-(5-chlorothiophen-2-yl)amino]-2-methylpropanamide
CID 141160298

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chlorothiophen-2-yl)-N-methylpropanamide?
The IUPAC name of 2-amino-N-(5-chlorothiophen-2-yl)-N-methylpropanamide (CID 115152275) is 2-amino-N-(5-chlorothiophen-2-yl)-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-(5-chlorothiophen-2-yl)-N-methylpropanamide?
The canonical SMILES for 2-amino-N-(5-chlorothiophen-2-yl)-N-methylpropanamide is CC(N)C(=O)N(C)c1ccc(Cl)s1.
What is the InChIKey of 2-amino-N-(5-chlorothiophen-2-yl)-N-methylpropanamide?
The InChIKey is IJADUFYKFFMZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c1-5(10)8(12)11(2)7-4-3-6(9)13-7/h3-5H,10H2,1-2H3.
What are the key properties of 2-amino-N-(5-chlorothiophen-2-yl)-N-methylpropanamide?
2-amino-N-(5-chlorothiophen-2-yl)-N-methylpropanamide has a molecular weight of 218.71 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chlorothiophen-2-yl)-N-methylpropanamide is sourced from PubChem (CID 115152275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).